Vitas-M small molecule compound
2-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-N-(2-methylphenyl)acetamide
Catalog ID
STK186968
SMILES O=C(Nc1ccccc1C)Cc1nnc(n1C)SCC(=O)c1cccc(c1)[N+](=O)[O-]
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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 C20H19N5O4S MW 425.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O4S/c1-13-6-3-4-9-16(13)21-19(27)11-18-22-23-20(24(18)2)30-12-17(26)14-7-5-8-15(10-14)25(28)29/h3-10H,11-12H2,1-2H3,(H,21,27)InChIKey
RCEVAKMSPDWGHS-UHFFFAOYSA-NSynonyms
2(4METHYL5((2(3NITROPHENYL)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)N(2METHYLPHENYL)ACETAMIDE
2(4METHYL5(2(3NITROPHENYL)2OXOETHYL)SULFANYL124TRIAZOL3YL)N(2METHYLPHENYL)ACETAMIDE
CC1=CC=CC=C1NC(=O)CC2=NN=C(N2C)SCC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC20H19N5O4Sc113634916(13)2119(27)1118222320(24(18)2)301217(26)1475815(1014)25(28)29h310H1112H212H3(H2127)
MFCD06626876
O=C(Nc1ccccc1C)Cc1nnc(n1C)SCC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000002877513
ZINC02877513
ZINC2877513
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