Vitas-M small molecule compound

(2E)-2-[4-(benzyloxy)benzylidene]-4,4-dimethyl-3-oxopentanenitrile

Catalog ID
STK415176
SMILES N#C/C(=C\c1ccc(cc1)OCc1ccccc1)/C(=O)C(C)(C)C

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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 C21H21NO2 MW 319.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO2/c1-21(2,3)20(23)18(14-22)13-16-9-11-19(12-10-16)24-15-17-7-5-4-6-8-17/h4-13H,15H2,1-3H3/b18-13+
InChIKey
MMJQFDHMXNQIEO-QGOAFFKASA-N
Synonyms

(2E)2(4(benzyloxy)benzylidene)44dimethyl3oxopentanenitrile
(2E)44DIMETHYL3OXO2((4PHENYLMETHOXYPHENYL)METHYLIDENE)PENTANENITRILE
CC(C)(C)C(=O)C(=CC1=CC=C(C=C1)OCC2=CC=CC=C2)C#N
InChI=1SC21H21NO2c121(23)20(23)18(1422)131691119(121016)2415177546817h413H15H213H3b1813+
MFCD03942741
N#CC(=Cc1ccc(cc1)OCc1ccccc1)C(=O)C(C)(C)C
ZINC000006209289
ZINC06209289
ZINC6209289

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Available files

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