Vitas-M small molecule compound

1-(3,4-dihydroxyphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

Catalog ID
STL062162
SMILES C=CCn1c(SCC(=O)c2ccc(c(c2)O)O)nnc1c1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C19H17N3O3S MW 367.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O3S/c1-2-10-22-18(13-6-4-3-5-7-13)20-21-19(22)26-12-17(25)14-8-9-15(23)16(24)11-14/h2-9,11,23-24H,1,10,12H2
InChIKey
LQURXTMSHVPTAA-UHFFFAOYSA-N
Synonyms
714915-91-0
1(34BIS(OXIDANYL)PHENYL)2((5PHENYL4PROP2ENYL124TRIAZOL3YL)SULFANYL)ETHANONE
1(34DIHYDROXYPHENYL)2((5PHENYL4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ETHAN1ONE
1(34dihydroxyphenyl)2((5phenyl4(prop2en1yl)4H124triazol3yl)sulfanyl)ethanone
1(34DIHYDROXYPHENYL)2((5PHENYL4PROP2ENYL124TRIAZOL3YL)SULFANYL)ETHANONE
1(34DIHYDROXYPHENYL)2((5PHENYL4PROP2ENYL124TRIAZOL3YL)THIO)ETHANONE
1(34DIHYDROXYPHENYL)2(5PHENYL4PROP2ENYL(124TRIAZOL3YLTHIO))ETHAN1ONE
2((4ALLYL5PHENYL124TRIAZOL3YL)THIO)1(34DIHYDROXYPHENYL)ETHANONE
2((4allyl5phenyl4H124triazol3yl)thio)1(34dihydroxyphenyl)ethanone
714915910
C=CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)O)O)C3=CC=CC=C3
InChI=1SC19H17N3O3Sc12102218(136435713)202119(22)261217(25)148915(23)16(24)1114h29112324H11012H2
MFCD05677457
ZINC000001298352
ZINC01298352
ZINC1298352

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.