Vitas-M small molecule compound
(E)-(4-butoxy-3-methylphenyl){2-(3,4-dichlorophenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK561276
SMILES CCCCOc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)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 C27H32Cl2N2O4 MW 519.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32Cl2N2O4/c1-5-6-14-35-22-11-9-19(15-17(22)2)25(32)23-24(18-8-10-20(28)21(29)16-18)31(27(34)26(23)33)13-7-12-30(3)4/h8-11,15-16,24,32H,5-7,12-14H2,1-4H3/b25-23+InChIKey
MWARLKIFCDLEON-WJTDDFOZSA-NSynonyms
487026-75-5(4E)4((4BUTOXY3METHYLPHENYL)HYDROXYMETHYLIDENE)5(34DICHLOROPHENYL)1(3(DIMETHYLAMINO)PROPYL)PYRROLIDINE23DIONE
(E)(4butoxy3methylphenyl)(2(34dichlorophenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4BUTOXY3METHYLPHENYL)(2(34DICHLOROPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
487026755
CCCCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC(=C(C=C3)Cl)Cl)(O))C
CCCCOc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)Cl)Cl)CCC(NH+)(C)C)(O)
InChI=1SC27H32Cl2N2O4c15614352211919(1517(22)2)25(32)2324(1881020(28)21(29)1618)31(27(34)26(23)33)1371230(3)4h81115162432H571214H214H3b2523+
MFCD18243745
ZINC000102502674
ZINC000102502681
Check stock
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Check stock on Vitas-MAvailable files
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