Vitas-M small molecule compound
2-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
STK083113
SMILES O=C(Nc1ccc(c(c1)[N+](=O)[O-])C)CSc1nnc(n1C)CNC(=O)c1ccccc1C
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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/c1-13-6-4-5-7-16(13)20(29)22-11-18-24-25-21(26(18)3)32-12-19(28)23-15-9-8-14(2)17(10-15)27(30)31/h4-10H,11-12H2,1-3H3,(H,22,29)(H,23,28)InChIKey
ZRWFTADQIDWMCY-UHFFFAOYSA-NSynonyms
2METHYLN((4METHYL5((2((4METHYL3NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
2METHYLN((4METHYL5(2(4METHYL3NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC=CC=C3C)(N+)(=O)(O)
InChI=1SC21H22N6O4Sc113645716(13)20(29)221118242521(26(18)3)321219(28)23159814(2)17(1015)27(30)31h410H1112H213H3(H2229)(H2328)
MFCD03722383
O=C(Nc1ccc(c(c1)(N+)(=O)(O))C)CSc1nnc(n1C)CNC(=O)c1ccccc1C
STK083113
ZINC000002832838
ZINC02832838
ZINC2832838
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