Vitas-M small molecule compound
methyl (5E)-1-(3,5-dimethylphenyl)-5-(4-hydroxybenzylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STL330704
SMILES COC(=O)C1=C(C)N(/C(=C/c2ccc(cc2)O)/C1=O)c1cc(C)cc(c1)C
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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 C22H21NO4 MW 363.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO4/c1-13-9-14(2)11-17(10-13)23-15(3)20(22(26)27-4)21(25)19(23)12-16-5-7-18(24)8-6-16/h5-12,24H,1-4H3/b19-12+InChIKey
BNTTYXJVGBFOOR-XDHOZWIPSA-NSynonyms
(E)methyl1(35dimethylphenyl)5(4hydroxybenzylidene)2methyl4oxo45dihydro1Hpyrrole3carboxylate
CC1=CC(=CC(=C1)N2C(=C(C(=O)C2=CC3=CC=C(C=C3)O)C(=O)OC)C)C
COC(=O)C1=C(C)N(C(=Cc2ccc(cc2)O)C1=O)c1cc(C)cc(c1)C
InChI=1SC22H21NO4c113914(2)1117(1013)2315(3)20(22(26)274)21(25)19(23)12165718(24)8616h51224H14H3b1912+
METHYL(5E)1(35DIMETHYLPHENYL)5((4HYDROXYPHENYL)METHYLIDENE)2METHYL4OXOPYRROLE3CARBOXYLATE
methyl(5E)1(35dimethylphenyl)5(4hydroxybenzylidene)2methyl4oxo45dihydro1Hpyrrole3carboxylate
METHYL1(35DIMETHYLPHENYL)5(4HYDROXYBENZYLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD01829771
ZINC000004834387
ZINC04834387
ZINC4834387
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