Vitas-M small molecule compound
(2E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{4-methoxy-3-[(2-methylbenzyl)oxy]phenyl}prop-2-enamide
Catalog ID
STK472897
SMILES N#C/C(=C\c1ccc(c(c1)OCc1ccccc1C)OC)/C(=O)Nc1ccc2c(c1)OCCO2
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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 C27H24N2O5 MW 456.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O5/c1-18-5-3-4-6-20(18)17-34-25-14-19(7-9-23(25)31-2)13-21(16-28)27(30)29-22-8-10-24-26(15-22)33-12-11-32-24/h3-10,13-15H,11-12,17H2,1-2H3,(H,29,30)/b21-13+InChIKey
CIXPCSWOERXEFL-FYJGNVAPSA-NSynonyms
(2E)2cyanoN(23dihydro14benzodioxin6yl)3(4methoxy3((2methylbenzyl)oxy)phenyl)prop2enamide
(E)2cyanoN(23dihydro14benzodioxin6yl)3(4methoxy3((2methylphenyl)methoxy)phenyl)prop2enamide
CC1=CC=CC=C1COC2=C(C=CC(=C2)C=C(C#N)C(=O)NC3=CC4=C(C=C3)OCCO4)OC
InChI=1SC27H24N2O5c118534620(18)1734251419(7923(25)312)1321(1628)27(30)29228102426(1522)3312113224h3101315H111217H212H3(H2930)b2113+
MFCD07092826
N#CC(=Cc1ccc(c(c1)OCc1ccccc1C)OC)C(=O)Nc1ccc2c(c1)OCCO2
ZINC000020418634
ZINC20418634
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