Reference Materials-Aladdin Scientific

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Toltrazuril sulfone, Allosteric modulator of neurotrophic receptor tyrosine kinase 1
Cas#: 69004-04-2 Compound CID: 3050408

Formula: C₁₈H₁₄F₃N₃O₆S Molecular Weight: 457.38

IUPAC Name: 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione

SMILES: CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3)S(=O)(=O)C(F)(F)F

InChIKey: VBUNOIXRZNJNAD-UHFFFAOYSA-N

InChI: InChI=1S/C18H14F3N3O6S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)30-12-4-6-13(7-5-12)31(28,29)18(19,20)21/h3-9H,1-2H3,(H,22,25,26)

Synonyms: AC-28364 | DTXSID7048958 | Marquis Antiprotozoal Oral Paste | Q7227567 | 1-methyl-3-[3-methyl-4-[4-(trifluoromethylsu...
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trans-Cinnamic acid
- ≥99.5%(GC)
Cas#: 140-10-3 Compound CID: 444539

Formula: C₉H₈O₂ Molecular Weight: 148.16

IUPAC Name: (E)-3-phenylprop-2-enoic acid

SMILES: C1=CC=C(C=C1)C=CC(=O)O

InChIKey: WBYWAXJHAXSJNI-VOTSOKGWSA-N

InChI: InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+

Synonyms: Cinnamic acid, E- | tert-.beta.-Phenylacrylic acid | 3-Phenylpropenoic acid | (E)-3-Phenylacrylate | (E)-3-phenylprop...
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trans-Cinnamic acid
Cas#: 140-10-3 Compound CID: 444539

Formula: C₉H₈O₂ Molecular Weight: 148.16

IUPAC Name: (E)-3-phenylprop-2-enoic acid

SMILES: C1=CC=C(C=C1)C=CC(=O)O

InChIKey: WBYWAXJHAXSJNI-VOTSOKGWSA-N

InChI: InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+

Synonyms: Cinnamic acid, E- | tert-.beta.-Phenylacrylic acid | 3-Phenylpropenoic acid | (E)-3-Phenylacrylate | (E)-3-phenylprop...
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Isoferulic Acid, Inhibitor of phosphomevalonate kinase
- ≥98%
Cas#: 537-73-5 Compound CID: 736186

Formula: C₁₀H₁₀O₄ Molecular Weight: 194.18

IUPAC Name: (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid

SMILES: COC1=C(C=C(C=C1)C=CC(=O)O)O

InChIKey: QURCVMIEKCOAJU-HWKANZROSA-N

InChI: InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

Synonyms: DTXSID501009309 | Isoferulate | XSQ2K2G7MC | (E)-3-(3-hydroxy-4-methoxyphenyl)acrylicacid | DTXCID90908460 | Hesperet...
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Andrographolide
Cas#: 5508-58-7 Compound CID: 5318517

Formula: C₂₀H₃₀O₅ Molecular Weight: 350.45

IUPAC Name: (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one

SMILES: CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)O

InChIKey: BOJKULTULYSRAS-OTESTREVSA-N

InChI: InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1

Synonyms: ANDROGRAPHOLIDE [MI] | DTXCID1025980 | Q-100624 | DTXSID3045980 | (S,E)-4-Hydroxy-3-(2-((1R,4aS,5R,6R,8aS)-6-hydroxy-...
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Isoferulic Acid, Inhibitor of phosphomevalonate kinase
- 10mM in DMSO
Cas#: 537-73-5 Compound CID: 736186

Formula: C₁₀H₁₀O₄ Molecular Weight: 194.18

IUPAC Name: (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid

SMILES: COC1=C(C=C(C=C1)C=CC(=O)O)O

InChIKey: QURCVMIEKCOAJU-HWKANZROSA-N

InChI: InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

Synonyms: Isoferulic acid|3-Hydroxy-4-methoxycinnamic acid|537-73-5|Hesperetic acid|25522-33-2|3-(3-Hydroxy-4-methoxyphenyl)acr...
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Tacrolimus（anhydrous）(FK506), Inhibitor of FKBP prolyl isomerase 1A;Activator of TRPM8
- ≥98%
Cas#: 104987-11-3 Compound CID: 445643

Formula: C₄₄H₆₉NO₁₂ Molecular Weight: 804.02

IUPAC Name: (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

SMILES: CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC

InChIKey: QJJXYPPXXYFBGM-LFZNUXCKSA-N

InChI: InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1

Synonyms: (7aR)-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one;Dihydroactinidiolide | CHEBI:93221 | DB00864 | HMS1792O21 | UN...
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Tetramethylthiuram disulfide
Cas#: 137-26-8 Compound CID: 5455

Formula: C₆H₁₂N₂S₄ Molecular Weight: 240.43

IUPAC Name: dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate

SMILES: CN(C)C(=S)SSC(=S)N(C)C

InChIKey: KUAZQDVKQLNFPE-UHFFFAOYSA-N

InChI: InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3

Synonyms: Nobecutan | Tetramethylthiurum disulfide | Arasan | Delsan | Arasan-SF-X | Spotrete | Tersan 75 | Tetramethylenethiur...
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trans-Cinnamic acid
- 10mM in DMSO
Cas#: 140-10-3 Compound CID: 444539

Formula: C₉H₈O₂ Molecular Weight: 148.16

IUPAC Name: (E)-3-phenylprop-2-enoic acid

SMILES: C1=CC=C(C=C1)C=CC(=O)O

InChIKey: WBYWAXJHAXSJNI-VOTSOKGWSA-N

InChI: InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+

Synonyms: CINNAMIC ACID|TRANS-CINNAMIC ACID|140-10-3|621-82-9|3-Phenylacrylic acid|(E)-Cinnamic acid|trans-3-Phenylacrylic acid...
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