Vitas-M small molecule compound
N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Catalog ID
STK197829
SMILES CC(c1nnc(n1C)SCC(=O)c1cccc(c1)[N+](=O)[O-])NC(=O)c1ccccc1
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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(21-19(27)14-7-4-3-5-8-14)18-22-23-20(24(18)2)30-12-17(26)15-9-6-10-16(11-15)25(28)29/h3-11,13H,12H2,1-2H3,(H,21,27)InChIKey
CCHVJSYTBLVXNW-UHFFFAOYSA-NSynonyms
CC(C1=NN=C(N1C)SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))NC(=O)C3=CC=CC=C3
CC(c1nnc(n1C)SCC(=O)c1cccc(c1)(N+)(=O)(O))NC(=O)c1ccccc1
InChI=1SC20H19N5O4Sc113(2119(27)147435814)18222320(24(18)2)301217(26)15961016(1115)25(28)29h31113H12H212H3(H2127)
MFCD06625419
N((1R)1(4METHYL5((2(3NITROPHENYL)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
N(1(4METHYL5((2(3NITROPHENYL)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
N(1(4METHYL5(2(3NITROPHENYL)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
ZINC000002873625
ZINC000002873626
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