Vitas-M small molecule compound
(2E)-2-{2-[(2-chlorobenzyl)oxy]benzylidene}-4,4-dimethyl-3-oxopentanenitrile
Catalog ID
STK137675
SMILES N#C/C(=C\c1ccccc1OCc1ccccc1Cl)/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)12-15-8-5-7-11-19(15)25-14-16-9-4-6-10-18(16)22/h4-12H,14H2,1-3H3/b17-12+InChIKey
XVPBVUHMQMYMTP-SFQUDFHCSA-NSynonyms
(2E)2((2((2CHLOROPHENYL)METHOXY)PHENYL)METHYLIDENE)44DIMETHYL3OXOPENTANENITRILE
(2E)2(2((2CHLOROBENZYL)OXY)BENZYLIDENE)44DIMETHYL3OXOPENTANENITRILE
CC(C)(C)C(=O)C(=CC1=CC=CC=C1OCC2=CC=CC=C2Cl)C#N
InChI=1SC21H20ClNO2c121(23)20(24)17(1323)12158571119(15)2514169461018(16)22h412H14H213H3b1712+
MFCD04255849
N#CC(=Cc1ccccc1OCc1ccccc1Cl)C(=O)C(C)(C)C
ZINC000004681552
ZINC04681552
ZINC4681552
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