Vitas-M small molecule compound
(E)-{2-(4-bromophenyl)-1-[4-(dimethylammonio)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(4-chlorophenyl)methanolate
Catalog ID
STK586469
SMILES Brc1ccc(cc1)C1/C(=C(/c2ccc(cc2)Cl)\[O-])/C(=O)C(=O)N1c1ccc(cc1)[NH+](C)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 C25H20BrClN2O3 MW 511.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrClN2O3/c1-28(2)19-11-13-20(14-12-19)29-22(15-3-7-17(26)8-4-15)21(24(31)25(29)32)23(30)16-5-9-18(27)10-6-16/h3-14,22,30H,1-2H3/b23-21+InChIKey
NGSANCGIXHQCSV-XTQSDGFTSA-NSynonyms
488723-53-1(4E)5(4BROMOPHENYL)4((4CHLOROPHENYL)HYDROXYMETHYLIDENE)1(4DIMETHYLAMINOPHENYL)PYRROLIDINE23DIONE
(E)(2(4bromophenyl)1(4(dimethylammonio)phenyl)45dioxopyrrolidin3ylidene)(4chlorophenyl)methanolate
(E)(2(4bromophenyl)1(4(dimethylazaniumyl)phenyl)45dioxopyrrolidin3ylidene)(4chlorophenyl)methanolate
488723531
Brc1ccc(cc1)C1C(=C(c2ccc(cc2)Cl)(O))C(=O)C(=O)N1c1ccc(cc1)(NH+)(C)C
C(NH+)(C)C1=CC=C(C=C1)N2C(C(=C(C3=CC=C(C=C3)Cl)(O))C(=O)C2=O)C4=CC=C(C=C4)Br
InChI=1SC25H20BrClN2O3c128(2)19111320(141219)2922(153717(26)8415)21(24(31)25(29)32)23(30)165918(27)10616h3142230H12H3b2321+
MFCD07209982
ZINC000101069829
ZINC000101069832
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