Vitas-M small molecule compound
ethyl (5E)-5-(5-bromo-2-methoxybenzylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160779
SMILES CCOC(=O)C1=C(C)N/C(=C/c2cc(Br)ccc2OC)/C1=O
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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 C16H16BrNO4 MW 366.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16BrNO4/c1-4-22-16(20)14-9(2)18-12(15(14)19)8-10-7-11(17)5-6-13(10)21-3/h5-8,18H,4H2,1-3H3/b12-8+InChIKey
XLMAQJVCHGXQFM-XYOKQWHBSA-NSynonyms
(E)ethyl5(5bromo2methoxybenzylidene)2methyl4oxo45dihydro1Hpyrrole3carboxylate
CCOC(=O)C1=C(C)NC(=Cc2cc(Br)ccc2OC)C1=O
CCOC(=O)C1=C(NC(=CC2=C(C=CC(=C2)Br)OC)C1=O)C
ETHYL(5E)5((5BROMO2METHOXYPHENYL)METHYLIDENE)2METHYL4OXO1HPYRROLE3CARBOXYLATE
ETHYL(5E)5(5BROMO2METHOXYBENZYLIDENE)2METHYL4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC16H16BrNO4c142216(20)149(2)1812(15(14)19)810711(17)5613(10)213h5818H4H213H3b128+
MFCD01829763
ZINC000004679371
ZINC04679371
ZINC4679371
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