Vitas-M small molecule compound
3-{(1E)-2-cyano-3-[(3,5-dichlorophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl 4-methoxybenzoate
Catalog ID
STK522737
SMILES COc1ccc(cc1)C(=O)Oc1cccc(c1)/C=C(/C(=O)Nc1cc(Cl)cc(c1)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 C24H16Cl2N2O4 MW 467.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16Cl2N2O4/c1-31-21-7-5-16(6-8-21)24(30)32-22-4-2-3-15(10-22)9-17(14-27)23(29)28-20-12-18(25)11-19(26)13-20/h2-13H,1H3,(H,28,29)/b17-9+InChIKey
OQKFBPQYMAUASW-RQZCQDPDSA-NSynonyms
(3((E)2CYANO3(35DICHLOROANILINO)3OXOPROP1ENYL)PHENYL)4METHOXYBENZOATE
3((1E)2cyano3((35dichlorophenyl)amino)3oxoprop1en1yl)phenyl4methoxybenzoate
COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)NC3=CC(=CC(=C3)Cl)Cl
COc1ccc(cc1)C(=O)Oc1cccc(c1)C=C(C(=O)Nc1cc(Cl)cc(c1)Cl)C#N
InChI=1SC24H16Cl2N2O4c131217516(6821)24(30)322242315(1022)917(1427)23(29)28201218(25)1119(26)1320h213H1H3(H2829)b179+
MFCD03155089
ZINC000015277307
ZINC15277307
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