Vitas-M small molecule compound
methyl (4Z)-1-[4-(ethoxycarbonyl)phenyl]-4-(4-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161430
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)/C(=C\c2ccc(cc2)O)/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 C23H21NO6 MW 407.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO6/c1-4-30-22(27)16-7-9-17(10-8-16)24-14(2)20(23(28)29-3)19(21(24)26)13-15-5-11-18(25)12-6-15/h5-13,25H,4H2,1-3H3/b19-13-InChIKey
RWVXUSIIAULJSN-UYRXBGFRSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=C(C(=CC3=CC=C(C=C3)O)C2=O)C(=O)OC)C
CCOC(=O)c1ccc(cc1)N1C(=O)C(=Cc2ccc(cc2)O)C(=C1C)C(=O)OC
InChI=1SC23H21NO6c143022(27)167917(10816)2414(2)20(23(28)293)19(21(24)26)131551118(25)12615h51325H4H213H3b1913
METHYL(4Z)1(4(ETHOXYCARBONYL)PHENYL)4(4HYDROXYBENZYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(4ETHOXYCARBONYLPHENYL)4((4HYDROXYPHENYL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD03251877
ZINC000001163984
ZINC01163984
ZINC1163984
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