Vitas-M small molecule compound
4-[(1E)-2-cyano-4,4-dimethyl-3-oxopent-1-en-1-yl]-2-ethoxyphenyl 3,4-dichlorobenzoate
Catalog ID
STK150156
SMILES CCOc1cc(ccc1OC(=O)c1ccc(c(c1)Cl)Cl)/C=C(/C(=O)C(C)(C)C)\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 C23H21Cl2NO4 MW 446.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21Cl2NO4/c1-5-29-20-11-14(10-16(13-26)21(27)23(2,3)4)6-9-19(20)30-22(28)15-7-8-17(24)18(25)12-15/h6-12H,5H2,1-4H3/b16-10+InChIKey
KBEXUJOAOSNRCH-MHWRWJLKSA-NSynonyms
(4((E)2CYANO44DIMETHYL3OXOPENT1ENYL)2ETHOXYPHENYL)34DICHLOROBENZOATE
4((1E)2CYANO44DIMETHYL3OXOPENT1EN1YL)2ETHOXYPHENYL34DICHLOROBENZOATE
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)C(C)(C)C)OC(=O)C2=CC(=C(C=C2)Cl)Cl
CCOc1cc(ccc1OC(=O)c1ccc(c(c1)Cl)Cl)C=C(C(=O)C(C)(C)C)C#N
InChI=1SC23H21Cl2NO4c1529201114(1016(1326)21(27)23(23)4)6919(20)3022(28)157817(24)18(25)1215h612H5H214H3b1610+
MFCD04490253
ZINC000009720413
ZINC09720413
ZINC9720413
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