Vitas-M small molecule compound
4-cyanobenzyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate
Catalog ID
STK777604
SMILES N#Cc1ccc(cc1)COC(=O)c1c(nc(n1C)C)[N+](=O)[O-]
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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 C14H12N4O4 MW 300.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N4O4/c1-9-16-13(18(20)21)12(17(9)2)14(19)22-8-11-5-3-10(7-15)4-6-11/h3-6H,8H2,1-2H3InChIKey
LORJAYIYXWOUEZ-UHFFFAOYSA-NSynonyms
(4CYANOPHENYL)METHYL12DIMETHYL4NITROIMIDAZOLE5CARBOXYLATE
(4CYANOPHENYL)METHYL23DIMETHYL5NITROIMIDAZOLE4CARBOXYLATE
4cyanobenzyl12dimethyl4nitro1Himidazole5carboxylate
CC1=NC(=C(N1C)C(=O)OCC2=CC=C(C=C2)C#N)(N+)(=O)(O)
InChI=1SC14H12N4O4c191613(18(20)21)12(17(9)2)14(19)228115310(715)4611h36H8H212H3
MFCD05854721
N#Cc1ccc(cc1)COC(=O)c1c(nc(n1C)C)(N+)(=O)(O)
ZINC000001425528
ZINC01425528
ZINC1425528
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