Vitas-M small molecule compound

N-[4-(cyanomethyl)phenyl]-2-nitrobenzamide

Catalog ID
STK496646
SMILES N#CCc1ccc(cc1)NC(=O)c1ccccc1[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/c16-10-9-11-5-7-12(8-6-11)17-15(19)13-3-1-2-4-14(13)18(20)21/h1-8H,9H2,(H,17,19)
InChIKey
ASHPHEJJPNVKPG-UHFFFAOYSA-N
Synonyms
524052-13-9
524052139
BENZAMIDEN(4CYANOMETHYLPHENYL)2NITRO
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)CC#N)(N+)(=O)(O)
InChI=1SC15H11N3O3c16109115712(8611)1715(19)13312414(13)18(20)21h18H9H2(H1719)
MFCD03409199
N#CCc1ccc(cc1)NC(=O)c1ccccc1(N+)(=O)(O)
N(4(CYANOMETHYL)PHENYL)(2NITROPHENYL)CARBOXAMIDE
N(4(cyanomethyl)phenyl)2nitrobenzamide
ZINC000000037211
ZINC00037211
ZINC37211

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Available files

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