Vitas-M small molecule compound

1-oxo-1-phenylbutan-2-yl 4-nitrobenzoate

Catalog ID
STK388026
SMILES CCC(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 C17H15NO5 MW 313.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15NO5/c1-2-15(16(19)12-6-4-3-5-7-12)23-17(20)13-8-10-14(11-9-13)18(21)22/h3-11,15H,2H2,1H3
InChIKey
KUZDKJPDXJRULI-UHFFFAOYSA-N
Synonyms
431998-97-9
(1OXO1PHENYLBUTAN2YL)4NITROBENZOATE
1ETHYL2OXO2PHENYLETHYL4NITROBENZOATE
1OXO1PHENYLBUTAN2YL4NITROBENZOATE
431998979
CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
CCC(C(=O)c1ccccc1)OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC17H15NO5c1215(16(19)126435712)2317(20)1381014(11913)18(21)22h31115H2H21H3
MFCD02828972
ZINC000000317164
ZINC000000317167

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Available files

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