Vitas-M small molecule compound
1-oxo-1-phenylpropan-2-yl 4-nitrobenzoate
Catalog ID
STK257795
SMILES CC(C(=O)c1ccccc1)OC(=O)c1ccc(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(15(18)12-5-3-2-4-6-12)22-16(19)13-7-9-14(10-8-13)17(20)21/h2-11H,1H3InChIKey
SHVVBQJXZMCDAX-UHFFFAOYSA-NSynonyms
(1OXO1PHENYLPROPAN2YL)4NITROBENZOATE
1oxo1phenylpropan2yl4nitrobenzoate
4NITROBENZOICACIDALPHAMETHYLBETAOXOPHENETHYLESTER
CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
CC(C(=O)c1ccccc1)OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC16H13NO5c111(15(18)125324612)2216(19)137914(10813)17(20)21h211H1H3
MFCD03182632
ZINC000000312861
ZINC000000312862
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