Vitas-M small molecule compound
methyl (4Z)-4-(4-hydroxybenzylidene)-2-methyl-1-(3-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STL363876
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)O)c1cccc(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 C21H19NO4 MW 349.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO4/c1-13-5-4-6-16(11-13)22-14(2)19(21(25)26-3)18(20(22)24)12-15-7-9-17(23)10-8-15/h4-12,23H,1-3H3/b18-12-InChIKey
NPAGTEBPSXOJCF-PDGQHHTCSA-NSynonyms
(Z)methyl4(4hydroxybenzylidene)2methyl5oxo1(mtolyl)45dihydro1Hpyrrole3carboxylate
CC1=CC(=CC=C1)N2C(=C(C(=CC3=CC=C(C=C3)O)C2=O)C(=O)OC)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)O)c1cccc(c1)C
InChI=1SC21H19NO4c11354616(1113)2214(2)19(21(25)263)18(20(22)24)12157917(23)10815h41223H13H3b1812
METHYL(4Z)4((4HYDROXYPHENYL)METHYLIDENE)2METHYL1(3METHYLPHENYL)5OXOPYRROLE3CARBOXYLATE
methyl(4Z)4(4hydroxybenzylidene)2methyl1(3methylphenyl)5oxo45dihydro1Hpyrrole3carboxylate
MFCD02216921
ZINC000000113293
ZINC00113293
ZINC113293
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