Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL054986
SMILES CC[NH+](CCCN1C(c2ccc(cc2)C)/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C1=O)CC
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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 C27H32N2O5 MW 464.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O5/c1-4-28(5-2)13-6-14-29-24(19-9-7-18(3)8-10-19)23(26(31)27(29)32)25(30)20-11-12-21-22(17-20)34-16-15-33-21/h7-12,17,24,30H,4-6,13-16H2,1-3H3/b25-23+InChIKey
VLBFVLKUMRIRLI-WJTDDFOZSA-NSynonyms
(4E)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4METHYLPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(4methylphenyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
CC(NH+)(CCCN1C(c2ccc(cc2)C)C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C1=O)CC
CCN(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)O)C(=O)C1=O)C4=CC=C(C=C4)C
InChI=1SC27H32N2O5c1428(52)136142924(199718(3)81019)23(26(31)27(29)32)25(30)2011122122(1720)3416153321h712172430H461316H213H3b2523+
MFCD18249643
ZINC000009359999
ZINC000009374582
Check stock
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Check stock on Vitas-MAvailable files
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