Vitas-M small molecule compound
methyl (4Z)-2-methyl-1-(4-methylbenzyl)-5-oxo-4-[3-(prop-2-en-1-yloxy)benzylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160052
SMILES C=CCOc1cccc(c1)/C=C\1/C(=C(N(C1=O)Cc1ccc(cc1)C)C)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 C25H25NO4 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO4/c1-5-13-30-21-8-6-7-20(14-21)15-22-23(25(28)29-4)18(3)26(24(22)27)16-19-11-9-17(2)10-12-19/h5-12,14-15H,1,13,16H2,2-4H3/b22-15-InChIKey
WHHCWHZVKNMDHU-JCMHNJIXSA-NSynonyms
C=CCOc1cccc(c1)C=C1C(=C(N(C1=O)Cc1ccc(cc1)C)C)C(=O)OC
CC1=CC=C(C=C1)CN2C(=C(C(=CC3=CC(=CC=C3)OCC=C)C2=O)C(=O)OC)C
InChI=1SC25H25NO4c1513302186720(1421)152223(25(28)294)18(3)26(24(22)27)161911917(2)101219h5121415H11316H224H3b2215
METHYL(4Z)2METHYL1((4METHYLPHENYL)METHYL)5OXO4((3PROP2ENOXYPHENYL)METHYLIDENE)PYRROLE3CARBOXYLATE
METHYL(4Z)2METHYL1(4METHYLBENZYL)5OXO4(3(PROP2EN1YLOXY)BENZYLIDENE)45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4(3(ALLYLOXY)BENZYLIDENE)2METHYL1(4METHYLBENZYL)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL5METHYL1((4METHYLPHENYL)METHYL)2OXO3((3PROP2ENYLOXYPHENYL)METHYLENE)AZOLINE4CARBOXYLATE
MFCD01964228
ZINC000004696430
ZINC04696430
ZINC4696430
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