Vitas-M small molecule compound

1H-benzimidazol-1-yl(4-methyl-3-nitrophenyl)methanone

Catalog ID
STK087653
SMILES [O-][N+](=O)c1cc(ccc1C)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 C15H11N3O3 MW 281.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11N3O3/c1-10-6-7-11(8-14(10)18(20)21)15(19)17-9-16-12-4-2-3-5-13(12)17/h2-9H,1H3
InChIKey
JPNZPDMLRHYSLQ-UHFFFAOYSA-N
Synonyms
326901-48-8
(O)(N+)(=O)c1cc(ccc1C)C(=O)n1cnc2c1cccc2
1HBENZIMIDAZOL1YL(4METHYL3NITROPHENYL)METHANONE
326901488
BENZIMIDAZOL1YL(4METHYL3NITROPHENYL)METHANONE
BENZIMIDAZOLYL4METHYL3NITROPHENYLKETONE
CC1=C(C=C(C=C1)C(=O)N2C=NC3=CC=CC=C32)(N+)(=O)(O)
InChI=1SC15H11N3O3c1106711(814(10)18(20)21)15(19)1791612423513(12)17h29H1H3
MFCD01213384
STK087653
ZINC000000196221
ZINC00196221
ZINC196221

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Available files

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