Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene}methanolate
Catalog ID
STK561034
SMILES C[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C1c1ccccc1)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 C24H26N2O5 MW 422.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O5/c1-25(2)11-6-12-26-21(16-7-4-3-5-8-16)20(23(28)24(26)29)22(27)17-9-10-18-19(15-17)31-14-13-30-18/h3-5,7-10,15,21,27H,6,11-14H2,1-2H3/b22-20+InChIKey
YBCSOANMUHCZDY-LSDHQDQOSA-NSynonyms
618405-07-5(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5PHENYLPYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(3(dimethylammonio)propyl)45dioxo2phenylpyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2PHENYLPYRROLIDIN3YLIDENE)METHANOLATE
618405075
C(NH+)(C)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)(O))C(=O)C1=O)C4=CC=CC=C4
C(NH+)(CCCN1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)(O))C1c1ccccc1)C
InChI=1SC24H26N2O5c125(2)116122621(167435816)20(23(28)24(26)29)22(27)179101819(1517)3114133018h35710152127H61114H212H3b2220+
MFCD18243693
ZINC000006412225
ZINC000006412287
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