Vitas-M small molecule compound
ethyl (4Z)-1-(4-bromophenyl)-4-(3-hydroxybenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK104736
SMILES CCOC(=O)C1=C(C)N(C(=O)/C/1=C\c1cccc(c1)O)c1ccc(cc1)Br
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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 C21H18BrNO4 MW 428.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrNO4/c1-3-27-21(26)19-13(2)23(16-9-7-15(22)8-10-16)20(25)18(19)12-14-5-4-6-17(24)11-14/h4-12,24H,3H2,1-2H3/b18-12-InChIKey
JJMAQMUHDMNFIU-PDGQHHTCSA-NSynonyms
CCOC(=O)C1=C(C)N(C(=O)C1=Cc1cccc(c1)O)c1ccc(cc1)Br
CCOC(=O)C1=C(N(C(=O)C1=CC2=CC(=CC=C2)O)C3=CC=C(C=C3)Br)C
ETHYL(4Z)1(4BROMOPHENYL)4((3HYDROXYPHENYL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
ETHYL(4Z)1(4BROMOPHENYL)4(3HYDROXYBENZYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC21H18BrNO4c132721(26)1913(2)23(169715(22)81016)20(25)18(19)121454617(24)1114h41224H3H212H3b1812
MFCD08671152
ZINC000012464634
ZINC12464634
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