Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[2-(dimethylammonio)ethyl]-2-(3-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK592895
SMILES C[NH+](CCN1C(c2cccc(c2)O)/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C1=O)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 C23H24N2O6 MW 424.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O6/c1-24(2)8-9-25-20(14-4-3-5-16(26)12-14)19(22(28)23(25)29)21(27)15-6-7-17-18(13-15)31-11-10-30-17/h3-7,12-13,20,26-27H,8-11H2,1-2H3/b21-19+InChIKey
JATPAXKHGKXHNY-XUTLUUPISA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(2DIMETHYLAMINOETHYL)5(3HYDROXYPHENYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(2(dimethylammonio)ethyl)2(3hydroxyphenyl)45dioxopyrrolidin3ylidene)methanolate
(E)23dihydro14benzodioxin6yl(1(2(dimethylazaniumyl)ethyl)2(3hydroxyphenyl)45dioxopyrrolidin3ylidene)methanolate
C(NH+)(C)CCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)(O))C(=O)C1=O)C4=CC(=CC=C4)O
C(NH+)(CCN1C(c2cccc(c2)O)C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C1=O)C
InChI=1SC23H24N2O6c124(2)892520(1443516(26)1214)19(22(28)23(25)29)21(27)15671718(1315)3111103017h371213202627H811H212H3b2119+
MFCD07198925
ZINC000102611246
ZINC000102611251
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