Vitas-M small molecule compound
(E)-{1-[3-(diethylammonio)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL051548
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCC[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 C29H36N2O6 MW 508.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O6/c1-4-15-35-22-10-7-9-20(18-22)26-25(27(32)21-11-12-23-24(19-21)37-17-16-36-23)28(33)29(34)31(26)14-8-13-30(5-2)6-3/h7,9-12,18-19,26,32H,4-6,8,13-17H2,1-3H3/b27-25+InChIKey
JQNTYCBOHMIGNC-IMVLJIQESA-NSynonyms
618856-72-7(4E)1(3(DIETHYLAMINO)PROPYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(diethylammonio)propyl)45dioxo2(3propoxyphenyl)pyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(1(3(DIETHYLAZANIUMYL)PROPYL)45DIOXO2(3PROPOXYPHENYL)PYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
618856727
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN(CC)CC
CCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)(CC)CC
InChI=1SC29H36N2O6c14153522107920(1822)2625(27(32)2111122324(1921)3717163623)28(33)29(34)31(26)1481330(52)63h791218192632H4681317H213H3b2725+
MFCD18249407
ZINC000102888617
ZINC000102888619
Check stock
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Check stock on Vitas-MAvailable files
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