Vitas-M small molecule compound
methyl (4Z)-4-(4-bromobenzylidene)-1-(3,5-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168575
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)Br)c1cc(C)cc(c1)C
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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 C22H20BrNO3 MW 426.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrNO3/c1-13-9-14(2)11-18(10-13)24-15(3)20(22(26)27-4)19(21(24)25)12-16-5-7-17(23)8-6-16/h5-12H,1-4H3/b19-12-InChIKey
PAMZFGBDQNPCCY-UNOMPAQXSA-NSynonyms
CC1=CC(=CC(=C1)N2C(=C(C(=CC3=CC=C(C=C3)Br)C2=O)C(=O)OC)C)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)Br)c1cc(C)cc(c1)C
InChI=1SC22H20BrNO3c113914(2)1118(1013)2415(3)20(22(26)274)19(21(24)25)12165717(23)8616h512H14H3b1912
METHYL(4Z)4((4BROMOPHENYL)METHYLIDENE)1(35DIMETHYLPHENYL)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)4(4BROMOBENZYLIDENE)1(35DIMETHYLPHENYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD08680048
ZINC000009846962
ZINC09846962
ZINC9846962
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