Vitas-M small molecule compound
methyl (4Z)-4-(4-chlorobenzylidene)-1-[4-(ethoxycarbonyl)phenyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160473
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)/C(=C\c2ccc(cc2)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 C23H20ClNO5 MW 425.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClNO5/c1-4-30-22(27)16-7-11-18(12-8-16)25-14(2)20(23(28)29-3)19(21(25)26)13-15-5-9-17(24)10-6-15/h5-13H,4H2,1-3H3/b19-13-InChIKey
WVDAGLQRGDBZAU-UYRXBGFRSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=C(C(=CC3=CC=C(C=C3)Cl)C2=O)C(=O)OC)C
CCOC(=O)c1ccc(cc1)N1C(=O)C(=Cc2ccc(cc2)Cl)C(=C1C)C(=O)OC
InChI=1SC23H20ClNO5c143022(27)1671118(12816)2514(2)20(23(28)293)19(21(25)26)13155917(24)10615h513H4H213H3b1913
METHYL(4Z)4((4CHLOROPHENYL)METHYLIDENE)1(4ETHOXYCARBONYLPHENYL)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)4(4CHLOROBENZYLIDENE)1(4(ETHOXYCARBONYL)PHENYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL4(4CHLOROBENZYLIDENE)1(4(ETHOXYCARBONYL)PHENYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03272243
ZINC000000638436
ZINC00638436
ZINC638436
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