Vitas-M small molecule compound

1H-benzimidazol-1-yl(4-nitrophenyl)methanone

Catalog ID
STK402252
SMILES [O-][N+](=O)c1ccc(cc1)C(=O)n1cnc2c1cccc2

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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 C14H9N3O3 MW 267.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H9N3O3/c18-14(10-5-7-11(8-6-10)17(19)20)16-9-15-12-3-1-2-4-13(12)16/h1-9H
InChIKey
NGSYDBWQORBKMI-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1)C(=O)n1cnc2c1cccc2
1(4NITROBENZOYL)1HBENZIMIDAZOLE
1Hbenzimidazol1yl(4nitrophenyl)methanone
BENZIMIDAZOL1YL(4NITROPHENYL)METHANONE
BENZIMIDAZOLYL4NITROPHENYLKETONE
C1=CC=C2C(=C1)N=CN2C(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC14H9N3O3c1814(105711(8610)17(19)20)1691512312413(12)16h19H
MFCD00422271
ZINC000013234067
ZINC13234067

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Available files

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