Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-2-(3-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL041257
SMILES CCOc1cccc(c1)C1N(CCC[NH+](CC)CC)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/[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 C28H34N2O6 MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O6/c1-4-29(5-2)13-8-14-30-25(19-9-7-10-21(17-19)34-6-3)24(27(32)28(30)33)26(31)20-11-12-22-23(18-20)36-16-15-35-22/h7,9-12,17-18,25,31H,4-6,8,13-16H2,1-3H3/b26-24+InChIKey
UFILZMCIPVWOGO-SHHOIMCASA-NSynonyms
618856-73-8(4E)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)2(3ethoxyphenyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)2(3ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
618856738
CCN(CC)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)O)C(=O)C1=O)C4=CC(=CC=C4)OCC
CCOc1cccc(c1)C1N(CCC(NH+)(CC)CC)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)(O)
InChI=1SC28H34N2O6c1429(52)138143025(19971021(1719)3463)24(27(32)28(30)33)26(31)2011122223(1820)3616153522h791217182531H4681316H213H3b2624+
MFCD18248083
ZINC000102868462
ZINC000102868466
Check stock
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