Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-[3-ethoxy-4-(pentyloxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL038053
SMILES CCCCCOc1ccc(cc1OCC)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 C32H42N2O6 MW 550.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H42N2O6/c1-6-8-9-17-39-26-14-11-22(20-27(26)38-7-2)29-28(31(36)32(37)34(29)16-10-15-33(4)5)30(35)23-12-13-25-24(19-23)18-21(3)40-25/h11-14,19-21,29,35H,6-10,15-18H2,1-5H3/b30-28+InChIKey
XQPGXINKRUBLAM-SJCQXOIGSA-NSynonyms
(4E)1(3(DIMETHYLAMINO)PROPYL)5(3ETHOXY4PENTOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(3ethoxy4(pentyloxy)phenyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(3ETHOXY4PENTOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)(O))C(=O)C(=O)N2CCC(NH+)(C)C)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC32H42N2O6c1689173926141122(2027(26)3872)2928(31(36)32(37)34(29)16101533(4)5)30(35)2312132524(1923)1821(3)4025h111419212935H6101518H215H3b3028+
MFCD18247545
ZINC000102859185
ZINC000102859198
Check stock
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Check stock on Vitas-MAvailable files
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