Vitas-M small molecule compound

4-nitrobenzyl 4-acetylbenzoate

Catalog ID
STK098963
SMILES O=C(c1ccc(cc1)C(=O)C)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 C16H13NO5 MW 299.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO5/c1-11(18)13-4-6-14(7-5-13)16(19)22-10-12-2-8-15(9-3-12)17(20)21/h2-9H,10H2,1H3
InChIKey
SJSSFQBAKRKVOF-UHFFFAOYSA-N
Synonyms

(4NITROPHENYL)METHYL4ACETYLBENZOATE
4NITROBENZYL4ACETYLBENZOATE
CC(=O)C1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC16H13NO5c111(18)134614(7513)16(19)2210122815(9312)17(20)21h29H10H21H3
MFCD03725694
O=C(c1ccc(cc1)C(=O)C)OCc1ccc(cc1)(N+)(=O)(O)
STK098963
ZINC000004677299
ZINC04677299
ZINC4677299

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Available files

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