Vitas-M small molecule compound
4-[(1E)-2-cyano-4,4-dimethyl-3-oxopent-1-en-1-yl]-2-methoxyphenyl 3,4-dichlorobenzoate
Catalog ID
STK143657
SMILES N#C/C(=C\c1ccc(c(c1)OC)OC(=O)c1ccc(c(c1)Cl)Cl)/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 C22H19Cl2NO4 MW 432.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19Cl2NO4/c1-22(2,3)20(26)15(12-25)9-13-5-8-18(19(10-13)28-4)29-21(27)14-6-7-16(23)17(24)11-14/h5-11H,1-4H3/b15-9+InChIKey
KNMBZOZTFJPHRQ-OQLLNIDSSA-NSynonyms
(4((E)2CYANO44DIMETHYL3OXOPENT1ENYL)2METHOXYPHENYL)34DICHLOROBENZOATE
4((1E)2CYANO44DIMETHYL3OXOPENT1EN1YL)2METHOXYPHENYL34DICHLOROBENZOATE
CC(C)(C)C(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)Cl)Cl)OC)C#N
InChI=1SC22H19Cl2NO4c122(23)20(26)15(1225)9135818(19(1013)284)2921(27)146716(23)17(24)1114h511H14H3b159+
MFCD04604932
N#CC(=Cc1ccc(c(c1)OC)OC(=O)c1ccc(c(c1)Cl)Cl)C(=O)C(C)(C)C
ZINC000013880301
ZINC13880301
Check stock
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