Vitas-M small molecule compound
(2E)-2-{4-[(2-fluorobenzyl)oxy]benzylidene}-4,4-dimethyl-3-oxopentanenitrile
Catalog ID
STK415180
SMILES N#C/C(=C\c1ccc(cc1)OCc1ccccc1F)/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 C21H20FNO2 MW 337.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FNO2/c1-21(2,3)20(24)17(13-23)12-15-8-10-18(11-9-15)25-14-16-6-4-5-7-19(16)22/h4-12H,14H2,1-3H3/b17-12+InChIKey
BPLGDYWZZDTFRW-SFQUDFHCSA-NSynonyms
(2E)2((4((2FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)44DIMETHYL3OXOPENTANENITRILE
(2E)2(4((2fluorobenzyl)oxy)benzylidene)44dimethyl3oxopentanenitrile
CC(C)(C)C(=O)C(=CC1=CC=C(C=C1)OCC2=CC=CC=C2F)C#N
InChI=1SC21H20FNO2c121(23)20(24)17(1323)121581018(11915)251416645719(16)22h412H14H213H3b1712+
MFCD03943144
N#CC(=Cc1ccc(cc1)OCc1ccccc1F)C(=O)C(C)(C)C
ZINC000006563253
ZINC06563253
ZINC6563253
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