Vitas-M small molecule compound

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

Catalog ID
STK289108
SMILES O=C(Cc1nnc(n1C)SCC(=O)c1ccccc1)Nc1ccccc1C

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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 C20H20N4O2S MW 380.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O2S/c1-14-8-6-7-11-16(14)21-19(26)12-18-22-23-20(24(18)2)27-13-17(25)15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3,(H,21,26)
InChIKey
ASENFRJVBBJTRH-UHFFFAOYSA-N
Synonyms

2(4methyl5((2oxo2phenylethyl)sulfanyl)4H124triazol3yl)N(2methylphenyl)acetamide
2(4METHYL5PHENACYLSULFANYL124TRIAZOL3YL)N(2METHYLPHENYL)ACETAMIDE
CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)C3=CC=CC=C3
InChI=1SC20H20N4O2Sc1148671116(14)2119(26)1218222320(24(18)2)271317(25)1594351015h311H1213H212H3(H2126)
MFCD06636470
ZINC000004842776
ZINC04842776
ZINC4842776

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Available files

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