Vitas-M small molecule compound
N-{[4-ethyl-5-({2-[(2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Catalog ID
STK124280
SMILES CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1CNC(=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/c1-3-26-18(12-22-20(29)15-8-6-7-14(2)11-15)24-25-21(26)32-13-19(28)23-16-9-4-5-10-17(16)27(30)31/h4-11H,3,12-13H2,1-2H3,(H,22,29)(H,23,28)InChIKey
MIIQRCCIPZFCSN-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2(N+)(=O)(O))CNC(=O)C3=CC(=CC=C3)C
CCn1c(SCC(=O)Nc2ccccc2(N+)(=O)(O))nnc1CNC(=O)c1cccc(c1)C
InChI=1SC21H22N6O4Sc132618(122220(29)1586714(2)1115)242521(26)321319(28)23169451017(16)27(30)31h411H31213H212H3(H2229)(H2328)
MFCD03721845
N((4ETHYL5((2((2NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N((4ETHYL5(2(2NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
ZINC000009305575
ZINC09305575
ZINC9305575
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