Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}methanolate
Catalog ID
STK567947
SMILES CCCOc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[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 C26H30N2O6 MW 466.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O6/c1-4-13-32-19-8-5-17(6-9-19)23-22(25(30)26(31)28(23)12-11-27(2)3)24(29)18-7-10-20-21(16-18)34-15-14-33-20/h5-10,16,23,29H,4,11-15H2,1-3H3/b24-22+InChIKey
BSWXHDYTEYTDQV-ZNTNEXAZSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(2DIMETHYLAMINOETHYL)5(4PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(2(dimethylammonio)ethyl)45dioxo2(4propoxyphenyl)pyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(4PROPOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
4(2H3HBENZO(34E)14DIOXAN6YLCARBONYL)1(2(DIMETHYLAMINO)ETHYL)3HYDROXY5(4PROPOXYPHENYL)3PYRROLIN2ONE
CCCOC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC(NH+)(C)C
CCCOc1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)(C)C
InChI=1SC26H30N2O6c141332198517(6919)2322(25(30)26(31)28(23)121127(2)3)24(29)187102021(1618)3415143320h510162329H41115H213H3b2422+
MFCD18245187
ZINC000009357775
ZINC000009357777
Check stock
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Check stock on Vitas-MAvailable files
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