Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-(3-ethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL040064
SMILES CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CC[NH+](CC)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 C28H34N2O5 MW 478.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O5/c1-5-29(6-2)13-14-30-25(19-9-8-10-22(17-19)34-7-3)24(27(32)28(30)33)26(31)20-11-12-23-21(16-20)15-18(4)35-23/h8-12,16-18,25,31H,5-7,13-15H2,1-4H3/b26-24+InChIKey
ARUYIKKIYHHZKI-SHHOIMCASA-NSynonyms
(4E)1(2DIETHYLAMINOETHYL)5(3ETHOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(3ethoxyphenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(3ETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CC(NH+)(CC)CCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)(O))C(=O)C1=O)C4=CC(=CC=C4)OCC
CCOc1cccc(c1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
InChI=1SC28H34N2O5c1529(62)13143025(19981022(1719)3473)24(27(32)28(30)33)26(31)2011122321(1620)1518(4)3523h81216182531H571315H214H3b2624+
MFCD18247947
ZINC000102865339
ZINC000102865349
Check stock
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