Vitas-M small molecule compound
methyl (4Z)-1-benzyl-4-(3-bromobenzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160003
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cccc(c1)Br)Cc1ccccc1
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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 C21H18BrNO3 MW 412.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrNO3/c1-14-19(21(25)26-2)18(12-16-9-6-10-17(22)11-16)20(24)23(14)13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3/b18-12-InChIKey
UYOBPHQGZDOPAX-PDGQHHTCSA-NSynonyms
(Z)methyl1benzyl4(3bromobenzylidene)2methyl5oxo45dihydro1Hpyrrole3carboxylate
CC1=C(C(=CC2=CC(=CC=C2)Br)C(=O)N1CC3=CC=CC=C3)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1cccc(c1)Br)Cc1ccccc1
InChI=1SC21H18BrNO3c11419(21(25)262)18(1216961017(22)1116)20(24)23(14)13157435815h312H13H212H3b1812
METHYL(4Z)1BENZYL4((3BROMOPHENYL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)1BENZYL4(3BROMOBENZYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD01832780
ZINC000001103975
ZINC01103975
ZINC1103975
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