Vitas-M small molecule compound

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

Catalog ID
STK497681
SMILES CCn1c(SCC(=O)c2ccc(cc2)Cl)nnc1c1cccnc1

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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 C17H15ClN4OS MW 358.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClN4OS/c1-2-22-16(13-4-3-9-19-10-13)20-21-17(22)24-11-15(23)12-5-7-14(18)8-6-12/h3-10H,2,11H2,1H3
InChIKey
TVHPKVHOXPVHLC-UHFFFAOYSA-N
Synonyms
585553-49-7
1(4CHLOROPHENYL)2((4ETHYL5(PYRIDIN3YL)4H124TRIAZOL3YL)SULFANYL)ETHAN1ONE
1(4chlorophenyl)2((4ethyl5(pyridin3yl)4H124triazol3yl)sulfanyl)ethanone
1(4chlorophenyl)2((4ethyl5(pyridin3yl)4H124triazol3yl)thio)ethanone
1(4CHLOROPHENYL)2((4ETHYL5PYRIDIN3YL124TRIAZOL3YL)SULFANYL)ETHANONE
1(4CHLOROPHENYL)2(4ETHYL5(3PYRIDYL)(124TRIAZOL3YLTHIO))ETHAN1ONE
1(4CHLOROPHENYL)2(4ETHYL5(PYRIDIN3YL)4H124TRIAZOL3YLTHIO)ETHANONE
585553497
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)C3=CN=CC=C3
InChI=1SC17H15ClN4OSc122216(13439191013)202117(22)241115(23)125714(18)8612h310H211H21H3
MFCD03847807
ZINC000000935566
ZINC00935566
ZINC935566

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Available files

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