Vitas-M small molecule compound
(2E)-2-[4-(benzyloxy)-3-methoxybenzylidene]-4,4-dimethyl-3-oxopentanenitrile
Catalog ID
STK415175
SMILES N#C/C(=C\c1ccc(c(c1)OC)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 C22H23NO3 MW 349.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO3/c1-22(2,3)21(24)18(14-23)12-17-10-11-19(20(13-17)25-4)26-15-16-8-6-5-7-9-16/h5-13H,15H2,1-4H3/b18-12+InChIKey
GKBLWJYBHOGUSZ-LDADJPATSA-NSynonyms
(2E)2((3METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)44DIMETHYL3OXOPENTANENITRILE
(2E)2(4(benzyloxy)3methoxybenzylidene)44dimethyl3oxopentanenitrile
CC(C)(C)C(=O)C(=CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C#N
InChI=1SC22H23NO3c122(23)21(24)18(1423)1217101119(20(1317)254)2615168657916h513H15H214H3b1812+
MFCD03942746
N#CC(=Cc1ccc(c(c1)OC)OCc1ccccc1)C(=O)C(C)(C)C
ZINC000006209288
ZINC06209288
ZINC6209288
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