Vitas-M small molecule compound

1-(3,4-dihydroxyphenyl)-2-{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

Catalog ID
STK570491
SMILES CCn1c(SCC(=O)c2ccc(c(c2)O)O)nnc1c1cccc(c1)C

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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 C19H19N3O3S MW 369.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O3S/c1-3-22-18(14-6-4-5-12(2)9-14)20-21-19(22)26-11-17(25)13-7-8-15(23)16(24)10-13/h4-10,23-24H,3,11H2,1-2H3
InChIKey
NBEOGSYAHBRNRD-UHFFFAOYSA-N
Synonyms
714924-44-4
1(34DIHYDROXYPHENYL)2((4ETHYL5(3METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ETHANONE
1(34DIHYDROXYPHENYL)2((4ETHYL5(3METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ETHAN1ONE
1(34dihydroxyphenyl)2((4ethyl5(3methylphenyl)4H124triazol3yl)sulfanyl)ethanone
1(34dihydroxyphenyl)2((4ethyl5(mtolyl)4H124triazol3yl)thio)ethanone
1(34DIHYDROXYPHENYL)2(4ETHYL5(3METHYLPHENYL)(124TRIAZOL3YLTHIO))ETHAN1ONE
714924444
CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)O)O)C3=CC(=CC=C3)C
InChI=1SC19H19N3O3Sc132218(1464512(2)914)202119(22)261117(25)137815(23)16(24)1013h4102324H311H212H3
MFCD05683181
ZINC000001272770
ZINC01272770
ZINC1272770

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Available files

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