Vitas-M small molecule compound
3,4-dichlorobenzyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate
Catalog ID
STK777960
SMILES O=C(c1c(nc(n1C)C)[N+](=O)[O-])OCc1ccc(c(c1)Cl)Cl
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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 C13H11Cl2N3O4 MW 344.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11Cl2N3O4/c1-7-16-12(18(20)21)11(17(7)2)13(19)22-6-8-3-4-9(14)10(15)5-8/h3-5H,6H2,1-2H3InChIKey
UVIJNNAZSSOATP-UHFFFAOYSA-NSynonyms
(34DICHLOROPHENYL)METHYL23DIMETHYL5NITROIMIDAZOLE4CARBOXYLATE
34dichlorobenzyl12dimethyl4nitro1Himidazole5carboxylate
CC1=NC(=C(N1C)C(=O)OCC2=CC(=C(C=C2)Cl)Cl)(N+)(=O)(O)
InChI=1SC13H11Cl2N3O4c171612(18(20)21)11(17(7)2)13(19)2268349(14)10(15)58h35H6H212H3
MFCD05855523
O=C(c1c(nc(n1C)C)(N+)(=O)(O))OCc1ccc(c(c1)Cl)Cl
ZINC000004625615
ZINC04625615
ZINC4625615
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