Vitas-M small molecule compound
2-bromobenzyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate
Catalog ID
STK780384
SMILES O=C(c1c(nc(n1C)C)[N+](=O)[O-])OCc1ccccc1Br
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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 C13H12BrN3O4 MW 354.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12BrN3O4/c1-8-15-12(17(19)20)11(16(8)2)13(18)21-7-9-5-3-4-6-10(9)14/h3-6H,7H2,1-2H3InChIKey
CKWLKJGHNMBAKZ-UHFFFAOYSA-NSynonyms
(2BROMOPHENYL)METHYL23DIMETHYL5NITROIMIDAZOLE4CARBOXYLATE
2bromobenzyl12dimethyl4nitro1Himidazole5carboxylate
CC1=NC(=C(N1C)C(=O)OCC2=CC=CC=C2Br)(N+)(=O)(O)
InChI=1SC13H12BrN3O4c181512(17(19)20)11(16(8)2)13(18)2179534610(9)14h36H7H212H3
MFCD05860340
O=C(c1c(nc(n1C)C)(N+)(=O)(O))OCc1ccccc1Br
ZINC000004625022
ZINC04625022
ZINC4625022
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