Vitas-M small molecule compound
(E)-{2-(3,4-diethoxyphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STK599835
SMILES CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CC[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/c1-6-34-22-11-8-18(16-23(22)35-7-2)25-24(27(32)28(33)30(25)13-12-29(4)5)26(31)19-9-10-21-20(15-19)14-17(3)36-21/h8-11,15-17,25,31H,6-7,12-14H2,1-5H3/b26-24+InChIKey
ABBSTFIDKNWOJQ-SHHOIMCASA-NSynonyms
896851-72-2(4E)5(34diethoxyphenyl)1(2(dimethylamino)ethyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)5(34DIETHOXYPHENYL)1(2DIMETHYLAMINOETHYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(34diethoxyphenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
896851722
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCN(C)C)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CC(NH+)(C)C
InChI=1SC28H34N2O6c16342211818(1623(22)3572)2524(27(32)28(33)30(25)131229(4)5)26(31)199102120(1519)1417(3)3621h81115172531H671214H215H3b2624+
MFCD07199381
ZINC000102628201
ZINC000102681960
Check stock
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Check stock on Vitas-MAvailable files
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