Vitas-M small molecule compound
(2E)-3-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-2-cyano-N-propylprop-2-enamide
Catalog ID
STK074088
SMILES CCCNC(=O)/C(=C/c1ccc(c(c1)OCC)OCc1ccc(cc1)Cl)/C#N
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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 C22H23ClN2O3 MW 398.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN2O3/c1-3-11-25-22(26)18(14-24)12-17-7-10-20(21(13-17)27-4-2)28-15-16-5-8-19(23)9-6-16/h5-10,12-13H,3-4,11,15H2,1-2H3,(H,25,26)/b18-12+InChIKey
AWYGQSIFVLTRQF-LDADJPATSA-NSynonyms
(2E)3(4((4CHLOROBENZYL)OXY)3ETHOXYPHENYL)2CYANONPROPYLPROP2ENAMIDE
(E)3(4((4CHLOROPHENYL)METHOXY)3ETHOXYPHENYL)2CYANONPROPYLPROP2ENAMIDE
CCCNC(=O)C(=CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)Cl)OCC)C#N
CCCNC(=O)C(=Cc1ccc(c(c1)OCC)OCc1ccc(cc1)Cl)C#N
InChI=1SC22H23ClN2O3c13112522(26)18(1424)121771020(21(1317)2742)2815165819(23)9616h5101213H341115H212H3(H2526)b1812+
MFCD03498302
STK074088
ZINC000004600075
ZINC04600075
ZINC4600075
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