Vitas-M small molecule compound
(E)-{2-(3-butoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STK567910
SMILES CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCC[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 C28H34N2O6 MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O6/c1-4-5-14-34-21-9-6-8-19(17-21)25-24(27(32)28(33)30(25)13-7-12-29(2)3)26(31)20-10-11-22-23(18-20)36-16-15-35-22/h6,8-11,17-18,25,31H,4-5,7,12-16H2,1-3H3/b26-24+InChIKey
NHEVPMVVLMAKBN-SHHOIMCASA-NSynonyms
620572-91-0(4E)5(3BUTOXYPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)PYRROLIDINE23DIONE
(E)(2(3butoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(2(3BUTOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
620572910
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CCC(NH+)(C)C
CCCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC28H34N2O6c14514342196819(1721)2524(27(32)28(33)30(25)1371229(2)3)26(31)2010112223(1820)3616153522h681117182531H4571216H213H3b2624+
MFCD18245183
ZINC000102549771
ZINC000102549777
Check stock
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Check stock on Vitas-MAvailable files
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