Vitas-M small molecule compound
3-methyl-N-{[4-methyl-5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK004436
SMILES O=C(Nc1cc(ccc1C)[N+](=O)[O-])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)23-17-10-16(27(30)31)8-7-14(17)2/h4-10H,11-12H2,1-3H3,(H,22,29)(H,23,28)InChIKey
BPMFKRNDVLGFIM-UHFFFAOYSA-NSynonyms
591764-17-93METHYLN((4METHYL5((2((2METHYL5NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
3methylN((4methyl5((2((2methyl5nitrophenyl)amino)2oxoethyl)thio)4H124triazol3yl)methyl)benzamide
3METHYLN((4METHYL5(2(2METHYL5NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
591764179
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC(=CC=C3)C
InChI=1SC21H22N6O4Sc11354615(913)20(29)221118242521(26(18)3)321219(28)23171016(27(30)31)8714(17)2h410H1112H213H3(H2229)(H2328)
MFCD03725739
O=C(Nc1cc(ccc1C)(N+)(=O)(O))CSc1nnc(n1C)CNC(=O)c1cccc(c1)C
STK004436
ZINC000001865669
ZINC01865669
ZINC1865669
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