Vitas-M small molecule compound
ethyl (4Z)-2-methyl-1-(4-methylphenyl)-5-oxo-4-[3-(prop-2-en-1-yloxy)benzylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK159967
SMILES C=CCOc1cccc(c1)/C=C\1/C(=C(N(C1=O)c1ccc(cc1)C)C)C(=O)OCC
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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 C25H25NO4 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO4/c1-5-14-30-21-9-7-8-19(15-21)16-22-23(25(28)29-6-2)18(4)26(24(22)27)20-12-10-17(3)11-13-20/h5,7-13,15-16H,1,6,14H2,2-4H3/b22-16-InChIKey
WIWRVLXQJQDEQO-JWGURIENSA-NSynonyms
(Z)ethyl4(3(allyloxy)benzylidene)2methyl5oxo1(ptolyl)45dihydro1Hpyrrole3carboxylate
C=CCOc1cccc(c1)C=C1C(=C(N(C1=O)c1ccc(cc1)C)C)C(=O)OCC
CCOC(=O)C1=C(N(C(=O)C1=CC2=CC(=CC=C2)OCC=C)C3=CC=C(C=C3)C)C
ETHYL(4Z)2METHYL1(4METHYLPHENYL)5OXO4((3PROP2ENOXYPHENYL)METHYLIDENE)PYRROLE3CARBOXYLATE
ETHYL(4Z)2METHYL1(4METHYLPHENYL)5OXO4(3(PROP2EN1YLOXY)BENZYLIDENE)45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC25H25NO4c1514302197819(1521)162223(25(28)2962)18(4)26(24(22)27)20121017(3)111320h57131516H1614H224H3b2216
MFCD01305085
ZINC000013800032
ZINC13800032
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