Vitas-M small molecule compound

(2-methylphenyl)(5-nitro-1H-benzimidazol-1-yl)methanone

Catalog ID
STK524053
SMILES Cc1ccccc1C(=O)n1cnc2c1ccc(c2)[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 C15H11N3O3 MW 281.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11N3O3/c1-10-4-2-3-5-12(10)15(19)17-9-16-13-8-11(18(20)21)6-7-14(13)17/h2-9H,1H3
InChIKey
KFLPWBKUCYJQQF-UHFFFAOYSA-N
Synonyms

(2METHYLPHENYL)(5NITRO1HBENZIMIDAZOL1YL)METHANONE
(2METHYLPHENYL)(5NITROBENZIMIDAZOL1YL)METHANONE
CC1=CC=CC=C1C(=O)N2C=NC3=C2C=CC(=C3)(N+)(=O)(O)
Cc1ccccc1C(=O)n1cnc2c1ccc(c2)(N+)(=O)(O)
InChI=1SC15H11N3O3c110423512(10)15(19)1791613811(18(20)21)6714(13)17h29H1H3
MFCD01116133
ZINC000000051934
ZINC00051934
ZINC51934

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Available files

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