Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-2-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL050369
SMILES C=CCOc1ccc(cc1OCC)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 C29H34N2O6 MW 506.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O6/c1-6-14-36-23-11-8-19(17-24(23)35-7-2)26-25(28(33)29(34)31(26)13-12-30(4)5)27(32)20-9-10-22-21(16-20)15-18(3)37-22/h6,8-11,16-18,26,32H,1,7,12-15H2,2-5H3/b27-25+InChIKey
DWRMXJBOBMPKSC-IMVLJIQESA-NSynonyms
845990-97-8(4E)1(2(dimethylamino)ethyl)5(3ethoxy4prop2enoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)5(3ETHOXY4PROP2ENOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(3ethoxy4(prop2en1yloxy)phenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(3ETHOXY4PROP2ENOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
845990978
C=CCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CC(NH+)(C)C
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCN(C)C)OCC=C
InChI=1SC29H34N2O6c1614362311819(1724(23)3572)2625(28(33)29(34)31(26)131230(4)5)27(32)209102221(1620)1518(3)3722h681116182632H171215H225H3b2725+
MFCD18249328
ZINC000009350478
ZINC000009413056
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