Vitas-M small molecule compound
ethyl (4Z)-4-(4-bromobenzylidene)-1-(4-methoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK013613
SMILES CCOC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)Br)c1ccc(cc1)OC
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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 C22H20BrNO4 MW 442.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrNO4/c1-4-28-22(26)20-14(2)24(17-9-11-18(27-3)12-10-17)21(25)19(20)13-15-5-7-16(23)8-6-15/h5-13H,4H2,1-3H3/b19-13-InChIKey
IHHGQOUISHSSAZ-UYRXBGFRSA-NSynonyms
(Z)ethyl4(4bromobenzylidene)1(4methoxyphenyl)2methyl5oxo45dihydro1Hpyrrole3carboxylate
CCOC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)Br)c1ccc(cc1)OC
CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC)C
ETHYL(4Z)4((4BROMOPHENYL)METHYLIDENE)1(4METHOXYPHENYL)2METHYL5OXOPYRROLE3CARBOXYLATE
ETHYL(4Z)4(4BROMOBENZYLIDENE)1(4METHOXYPHENYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC22H20BrNO4c142822(26)2014(2)24(1791118(273)121017)21(25)19(20)13155716(23)8615h513H4H213H3b1913
MFCD01455596
STK013613
ZINC000008872509
ZINC08872509
ZINC8872509
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