Vitas-M small molecule compound

4-nitrobenzyl 2-(acetylamino)benzoate

Catalog ID
STK285368
SMILES CC(=O)Nc1ccccc1C(=O)OCc1ccc(cc1)[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 C16H14N2O5 MW 314.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O5/c1-11(19)17-15-5-3-2-4-14(15)16(20)23-10-12-6-8-13(9-7-12)18(21)22/h2-9H,10H2,1H3,(H,17,19)
InChIKey
NMSYPFJOLCSRQT-UHFFFAOYSA-N
Synonyms

(4nitrophenyl)methyl2acetamidobenzoate
4NITROBENZYL2(ACETYLAMINO)BENZOATE
CC(=O)NC1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)(N+)(=O)(O)
CC(=O)Nc1ccccc1C(=O)OCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC16H14N2O5c111(19)1715532414(15)16(20)2310126813(9712)18(21)22h29H10H21H3(H1719)
MFCD03243240
ZINC000005833632
ZINC05833632
ZINC5833632

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Available files

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