Vitas-M small molecule compound
ethyl (2E)-3-{3-chloro-4-[(4-chlorobenzyl)oxy]-5-ethoxyphenyl}-2-cyanoprop-2-enoate
Catalog ID
STK105018
SMILES CCOC(=O)/C(=C/c1cc(Cl)c(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 C21H19Cl2NO4 MW 420.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2NO4/c1-3-26-19-11-15(9-16(12-24)21(25)27-4-2)10-18(23)20(19)28-13-14-5-7-17(22)8-6-14/h5-11H,3-4,13H2,1-2H3/b16-9+InChIKey
MPDHUBFVFVJJTO-CXUHLZMHSA-NSynonyms
CCOC(=O)C(=Cc1cc(Cl)c(c(c1)OCC)OCc1ccc(cc1)Cl)C#N
CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)OCC)Cl)OCC2=CC=C(C=C2)Cl
ETHYL(2E)3(3CHLORO4((4CHLOROBENZYL)OXY)5ETHOXYPHENYL)2CYANOPROP2ENOATE
ETHYL(E)3(3CHLORO4((4CHLOROPHENYL)METHOXY)5ETHOXYPHENYL)2CYANOPROP2ENOATE
InChI=1SC21H19Cl2NO4c1326191115(916(1224)21(25)2742)1018(23)20(19)2813145717(22)8614h511H3413H212H3b169+
MFCD05149621
ZINC000009233728
ZINC09233728
ZINC9233728
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