Vitas-M small molecule compound
methyl (4Z)-1-(4-bromophenyl)-4-[4-(methoxycarbonyl)benzylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK825871
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)OC)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 C22H18BrNO5 MW 456.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrNO5/c1-13-19(22(27)29-3)18(12-14-4-6-15(7-5-14)21(26)28-2)20(25)24(13)17-10-8-16(23)9-11-17/h4-12H,1-3H3/b18-12-InChIKey
LJPDDJBIDWOIET-PDGQHHTCSA-NSynonyms
(Z)methyl1(4bromophenyl)4(4(methoxycarbonyl)benzylidene)2methyl5oxo45dihydro1Hpyrrole3carboxylate
CC1=C(C(=CC2=CC=C(C=C2)C(=O)OC)C(=O)N1C3=CC=C(C=C3)Br)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(=O)OC)c1ccc(cc1)Br
InChI=1SC22H18BrNO5c11319(22(27)293)18(12144615(7514)21(26)282)20(25)24(13)1710816(23)91117h412H13H3b1812
METHYL(4Z)1(4BROMOPHENYL)4((4METHOXYCARBONYLPHENYL)METHYLIDENE)2METHYL5OXOPYRROLE3CARBOXYLATE
methyl(4Z)1(4bromophenyl)4(4(methoxycarbonyl)benzylidene)2methyl5oxo45dihydro1Hpyrrole3carboxylate
METHYL1(4BROMOPHENYL)4(4(METHOXYCARBONYL)BENZYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD02623648
ZINC000000631835
ZINC00631835
ZINC631835
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