Vitas-M small molecule compound
(2E)-2-{4-[(4-chlorobenzyl)oxy]benzylidene}-4,4-dimethyl-3-oxopentanenitrile
Catalog ID
STK137325
SMILES N#C/C(=C\c1ccc(cc1)OCc1ccc(cc1)Cl)/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 C21H20ClNO2 MW 353.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClNO2/c1-21(2,3)20(24)17(13-23)12-15-6-10-19(11-7-15)25-14-16-4-8-18(22)9-5-16/h4-12H,14H2,1-3H3/b17-12+InChIKey
KBZRYQMUPDRARW-SFQUDFHCSA-NSynonyms
(2E)2((4((4CHLOROPHENYL)METHOXY)PHENYL)METHYLIDENE)44DIMETHYL3OXOPENTANENITRILE
(2E)2(4((4CHLOROBENZYL)OXY)BENZYLIDENE)44DIMETHYL3OXOPENTANENITRILE
CC(C)(C)C(=O)C(=CC1=CC=C(C=C1)OCC2=CC=C(C=C2)Cl)C#N
InChI=1SC21H20ClNO2c121(23)20(24)17(1323)121561019(11715)2514164818(22)9516h412H14H213H3b1712+
MFCD04255847
N#CC(=Cc1ccc(cc1)OCc1ccc(cc1)Cl)C(=O)C(C)(C)C
ZINC000004681476
ZINC04681476
ZINC4681476
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