Vitas-M small molecule compound
methyl (4Z)-1-[4-(ethoxycarbonyl)phenyl]-4-(2-fluorobenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161440
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)/C(=C\c2ccccc2F)/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 C23H20FNO5 MW 409.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20FNO5/c1-4-30-22(27)15-9-11-17(12-10-15)25-14(2)20(23(28)29-3)18(21(25)26)13-16-7-5-6-8-19(16)24/h5-13H,4H2,1-3H3/b18-13-InChIKey
AKVYAJISWILOCR-AQTBWJFISA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=C(C(=CC3=CC=CC=C3F)C2=O)C(=O)OC)C
CCOC(=O)c1ccc(cc1)N1C(=O)C(=Cc2ccccc2F)C(=C1C)C(=O)OC
InChI=1SC23H20FNO5c143022(27)1591117(121015)2514(2)20(23(28)293)18(21(25)26)1316756819(16)24h513H4H213H3b1813
METHYL(4Z)1(4(ETHOXYCARBONYL)PHENYL)4(2FLUOROBENZYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(4ETHOXYCARBONYLPHENYL)4((2FLUOROPHENYL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03261755
ZINC000004699096
ZINC04699096
ZINC4699096
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