Vitas-M small molecule compound
4-methyl-N-{[4-methyl-5-({2-[(3-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK142111
SMILES O=C(Nc1ccc(c(c1)C)[N+](=O)[O-])CSc1nnc(n1C)CNC(=O)c1ccc(cc1)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/c1-13-4-6-15(7-5-13)20(29)22-11-18-24-25-21(26(18)3)32-12-19(28)23-16-8-9-17(27(30)31)14(2)10-16/h4-10H,11-12H2,1-3H3,(H,22,29)(H,23,28)InChIKey
YTCLJCFTWALAGA-UHFFFAOYSA-NSynonyms
4METHYLN((4METHYL5((2((3METHYL4NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
4METHYLN((4METHYL5(2(3METHYL4NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)NC3=CC(=C(C=C3)(N+)(=O)(O))C
InChI=1SC21H22N6O4Sc1134615(7513)20(29)221118242521(26(18)3)321219(28)23168917(27(30)31)14(2)1016h410H1112H213H3(H2229)(H2328)
MFCD08675045
O=C(Nc1ccc(c(c1)C)(N+)(=O)(O))CSc1nnc(n1C)CNC(=O)c1ccc(cc1)C
ZINC000009601360
ZINC09601360
ZINC9601360
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