Vitas-M small molecule compound
(E)-{2-(3-bromophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-butoxy-2-methylphenyl)methanolate
Catalog ID
STK562009
SMILES CCCCOc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)Br)CCC[NH+](C)C)/[O-]
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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 C27H33BrN2O4 MW 529.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33BrN2O4/c1-5-6-15-34-21-11-12-22(18(2)16-21)25(31)23-24(19-9-7-10-20(28)17-19)30(27(33)26(23)32)14-8-13-29(3)4/h7,9-12,16-17,24,31H,5-6,8,13-15H2,1-4H3/b25-23+InChIKey
GNPCLJMWOBLQAC-WJTDDFOZSA-NSynonyms
371206-66-5(4E)5(3BROMOPHENYL)4((4BUTOXY2METHYLPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)PYRROLIDINE23DIONE
(E)(2(3bromophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(4butoxy2methylphenyl)methanolate
(E)(2(3BROMOPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4BUTOXY2METHYLPHENYL)METHANOLATE
371206665
CCCCOC1=CC(=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC(=CC=C3)Br)(O))C
CCCCOc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)Br)CCC(NH+)(C)C)(O)
InChI=1SC27H33BrN2O4c156153421111222(18(2)1621)25(31)2324(19971020(28)1719)30(27(33)26(23)32)1481329(3)4h791216172431H5681315H214H3b2523+
MFCD18243947
ZINC000102508968
ZINC000102508979
Check stock
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Check stock on Vitas-MAvailable files
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