Vitas-M small molecule compound
4-methoxy-N-{[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK130226
SMILES COc1ccc(cc1)C(=O)NCc1nnc(n1C)SCC(=O)Nc1ccc(cc1C)[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 C21H22N6O5S MW 470.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O5S/c1-13-10-15(27(30)31)6-9-17(13)23-19(28)12-33-21-25-24-18(26(21)2)11-22-20(29)14-4-7-16(32-3)8-5-14/h4-10H,11-12H2,1-3H3,(H,22,29)(H,23,28)InChIKey
WZOBIORPXSTTKL-UHFFFAOYSA-NSynonyms
4METHOXYN((4METHYL5((2((2METHYL4NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
4METHOXYN((4METHYL5(2(2METHYL4NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=C(C=C3)OC
COc1ccc(cc1)C(=O)NCc1nnc(n1C)SCC(=O)Nc1ccc(cc1C)(N+)(=O)(O)
InChI=1SC21H22N6O5Sc1131015(27(30)31)6917(13)2319(28)123321252418(26(21)2)112220(29)144716(323)8514h410H1112H213H3(H2229)(H2328)
MFCD04328561
ZINC000009260548
ZINC09260548
ZINC9260548
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