Vitas-M small molecule compound
(E)-{2-(3,4-diethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL046190
SMILES CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CCC[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 C29H36N2O6 MW 508.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O6/c1-6-35-23-12-9-19(17-24(23)36-7-2)26-25(28(33)29(34)31(26)14-8-13-30(4)5)27(32)20-10-11-22-21(16-20)15-18(3)37-22/h9-12,16-18,26,32H,6-8,13-15H2,1-5H3/b27-25+InChIKey
NIOCYTFQRRLKCG-IMVLJIQESA-NSynonyms
841208-75-1(4E)5(34DIETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(34diethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(34DIETHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
841208751
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2CCCN(C)C)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC29H36N2O6c16352312919(1724(23)3672)2625(28(33)29(34)31(26)1481330(4)5)27(32)2010112221(1620)1518(3)3722h91216182632H681315H215H3b2725+
MFCD18248801
ZINC000102879132
ZINC000102879139
Check stock
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Check stock on Vitas-MAvailable files
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