Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(dimethylammonio)propyl]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL150648
SMILES COc1ccccc1C1/C(=C(/c2ccc3c(c2)OCCO3)\[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 C25H28N2O6 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O6/c1-26(2)11-6-12-27-22(17-7-4-5-8-18(17)31-3)21(24(29)25(27)30)23(28)16-9-10-19-20(15-16)33-14-13-32-19/h4-5,7-10,15,22,28H,6,11-14H2,1-3H3/b23-21+InChIKey
CTQHKNLSBBTAQP-XTQSDGFTSA-NSynonyms
618406-13-6(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5(2METHOXYPHENYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(3(dimethylammonio)propyl)2(2methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(1(3(DIMETHYLAZANIUMYL)PROPYL)2(2METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
4(23DIHYDRO14BENZODIOXIN6YLCARBONYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(2METHOXYPHENYL)15DIHYDRO2HPYRROL2ONE
4(2H3HBENZO(34E)14DIOXAN6YLCARBONYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(2METHOXYPHENYL)3PYRROLIN2ONE
618406136
CN(C)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)O)C(=O)C1=O)C4=CC=CC=C4OC
COc1ccccc1C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC25H28N2O6c126(2)116122722(17745818(17)313)21(24(29)25(27)30)23(28)169101920(1516)3314133219h45710152228H61114H213H3b2321+
MFCD20755877
ZINC000102931975
ZINC000102931977
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