Vitas-M small molecule compound
3-methyl-N-{[4-methyl-5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK004142
SMILES O=C(Nc1ccc(c(c1)[N+](=O)[O-])C)CSc1nnc(n1C)CNC(=O)c1cccc(c1)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 C21H22N6O4S MW 454.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O4S/c1-13-5-4-6-15(9-13)20(29)22-11-18-24-25-21(26(18)3)32-12-19(28)23-16-8-7-14(2)17(10-16)27(30)31/h4-10H,11-12H2,1-3H3,(H,22,29)(H,23,28)InChIKey
MLHFZFCIMFFOGY-UHFFFAOYSA-NSynonyms
3METHYLN((4METHYL5((2((4METHYL3NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
3METHYLN((4METHYL5(2(4METHYL3NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC(=CC=C3)C)(N+)(=O)(O)
InChI=1SC21H22N6O4Sc11354615(913)20(29)221118242521(26(18)3)321219(28)23168714(2)17(1016)27(30)31h410H1112H213H3(H2229)(H2328)
MFCD04126464
O=C(Nc1ccc(c(c1)(N+)(=O)(O))C)CSc1nnc(n1C)CNC(=O)c1cccc(c1)C
STK004142
ZINC000009305597
ZINC09305597
ZINC9305597
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