Vitas-M small molecule compound

N-(3-methylphenyl)-2-[(5-{[(4-methylphenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Catalog ID
STL186086
SMILES O=C(Nc1cccc(c1)C)CSc1nnc(n1c1ccccc1)CSc1ccc(cc1)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 C25H24N4OS2 MW 460.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4OS2/c1-18-11-13-22(14-12-18)31-16-23-27-28-25(29(23)21-9-4-3-5-10-21)32-17-24(30)26-20-8-6-7-19(2)15-20/h3-15H,16-17H2,1-2H3,(H,26,30)
InChIKey
UUDRETHBKKNEPE-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC(=C4)C
InChI=1SC25H24N4OS2c118111322(141218)311623272825(29(23)2194351021)321724(30)262086719(2)1520h315H1617H212H3(H2630)
MFCD03460569
N(3methylphenyl)2((5(((4methylphenyl)sulfanyl)methyl)4phenyl4H124triazol3yl)sulfanyl)acetamide
N(3methylphenyl)2((5((4methylphenyl)sulfanylmethyl)4phenyl124triazol3yl)sulfanyl)acetamide
ZINC000027525459
ZINC27525459

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Available files

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