Vitas-M small molecule compound
methyl (4Z)-4-(3,4-dichlorobenzylidene)-1-[4-(ethoxycarbonyl)phenyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161437
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)/C(=C\c2ccc(c(c2)Cl)Cl)/C(=C1C)C(=O)OC
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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 C23H19Cl2NO5 MW 460.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19Cl2NO5/c1-4-31-22(28)15-6-8-16(9-7-15)26-13(2)20(23(29)30-3)17(21(26)27)11-14-5-10-18(24)19(25)12-14/h5-12H,4H2,1-3H3/b17-11-InChIKey
HSGOMFIPUHMVOI-BOPFTXTBSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=C(C(=CC3=CC(=C(C=C3)Cl)Cl)C2=O)C(=O)OC)C
CCOC(=O)c1ccc(cc1)N1C(=O)C(=Cc2ccc(c(c2)Cl)Cl)C(=C1C)C(=O)OC
InChI=1SC23H19Cl2NO5c143122(28)156816(9715)2613(2)20(23(29)303)17(21(26)27)111451018(24)19(25)1214h512H4H213H3b1711
METHYL(4Z)4((34DICHLOROPHENYL)METHYLIDENE)1(4ETHOXYCARBONYLPHENYL)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)4(34DICHLOROBENZYLIDENE)1(4(ETHOXYCARBONYL)PHENYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03251683
ZINC000001161791
ZINC01161791
ZINC1161791
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