Vitas-M small molecule compound
methyl (5E)-5-(4-hydroxybenzylidene)-2-methyl-1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK839218
SMILES COC(=O)C1=C(C)N(/C(=C/c2ccc(cc2)O)/C1=O)c1ccc(cc1)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/c1-13-4-8-16(9-5-13)22-14(2)19(21(25)26-3)20(24)18(22)12-15-6-10-17(23)11-7-15/h4-12,23H,1-3H3/b18-12+InChIKey
CKDJFQXSGGYYSF-LDADJPATSA-NSynonyms
(E)methyl5(4hydroxybenzylidene)2methyl4oxo1(ptolyl)45dihydro1Hpyrrole3carboxylate
CC1=CC=C(C=C1)N2C(=C(C(=O)C2=CC3=CC=C(C=C3)O)C(=O)OC)C
COC(=O)C1=C(C)N(C(=Cc2ccc(cc2)O)C1=O)c1ccc(cc1)C
InChI=1SC21H19NO4c1134816(9513)2214(2)19(21(25)263)20(24)18(22)121561017(23)11715h41223H13H3b1812+
METHYL(5E)5((4HYDROXYPHENYL)METHYLIDENE)2METHYL1(4METHYLPHENYL)4OXOPYRROLE3CARBOXYLATE
methyl(5E)5(4hydroxybenzylidene)2methyl1(4methylphenyl)4oxo45dihydro1Hpyrrole3carboxylate
METHYL5(4HYDROXYBENZYLIDENE)2METHYL1(4METHYLPHENYL)4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD01829765
ZINC000004819597
ZINC04819597
ZINC4819597
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