Vitas-M small molecule compound

2-{[4-methyl-5-(5-methylthiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide

Catalog ID
STK474966
SMILES O=C(Nc1ccccc1)CSc1nnc(n1C)c1csc(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 C16H16N4OS2 MW 344.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4OS2/c1-11-8-12(9-22-11)15-18-19-16(20(15)2)23-10-14(21)17-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,21)
InChIKey
BDMNHFHVEHACSM-UHFFFAOYSA-N
Synonyms

2((4METHYL5(5METHYLTHIOPHEN3YL)124TRIAZOL3YL)SULFANYL)NPHENYLACETAMIDE
2((4methyl5(5methylthiophen3yl)4H124triazol3yl)sulfanyl)Nphenylacetamide
2(4METHYL5(5METHYL(3THIENYL))(124TRIAZOL3YLTHIO))NPHENYLACETAMIDE
CC1=CC(=CS1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3
InChI=1SC16H16N4OS2c111812(92211)15181916(20(15)2)231014(21)17136435713h39H10H212H3(H1721)
MFCD07117343
ZINC000006730795
ZINC06730795
ZINC6730795

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Available files

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