Vitas-M small molecule compound

2-cyanobenzyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate

Catalog ID
STK779200
SMILES N#Cc1ccccc1COC(=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)22-8-11-6-4-3-5-10(11)7-15/h3-6H,8H2,1-2H3
InChIKey
OEFLKHKXHDKOEX-UHFFFAOYSA-N
Synonyms

(2CYANOPHENYL)METHYL12DIMETHYL4NITROIMIDAZOLE5CARBOXYLATE
(2CYANOPHENYL)METHYL23DIMETHYL5NITROIMIDAZOLE4CARBOXYLATE
2cyanobenzyl12dimethyl4nitro1Himidazole5carboxylate
CC1=NC(=C(N1C)C(=O)OCC2=CC=CC=C2C#N)(N+)(=O)(O)
InChI=1SC14H12N4O4c191613(18(20)21)12(17(9)2)14(19)22811643510(11)715h36H8H212H3
MFCD05858179
N#Cc1ccccc1COC(=O)c1c(nc(n1C)C)(N+)(=O)(O)
ZINC000001428983
ZINC01428983
ZINC1428983

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.