Vitas-M small molecule compound

(E)-2,3-dihydro-1,4-benzodioxin-6-yl{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-2-yl)pyrrolidin-3-ylidene}methanolate

Catalog ID
STL050697
SMILES C[NH+](CCCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/[O-])/C1c1ccccn1)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 C23H25N3O5 MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O5/c1-25(2)10-5-11-26-20(16-6-3-4-9-24-16)19(22(28)23(26)29)21(27)15-7-8-17-18(14-15)31-13-12-30-17/h3-4,6-9,14,20,27H,5,10-13H2,1-2H3/b21-19+
InChIKey
BNPIMZAIXPNSRD-XUTLUUPISA-N
Synonyms
618405-36-0
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(3(dimethylamino)propyl)5pyridin2ylpyrrolidine23dione
(4Z)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5PYRIDIN2YLPYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(3(dimethylammonio)propyl)45dioxo2(pyridin2yl)pyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2PYRIDIN2YLPYRROLIDIN3YLIDENE)METHANOLATE
4(2H3HBENZO(34E)14DIOXAN6YLCARBONYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(2PYRIDYL)3PYRROLIN2ONE
618405360
C(NH+)(CCCN1C(=O)C(=O)C(=C(c2ccc3c(c2)OCCO3)(O))C1c1ccccn1)C
CN(C)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)O)C(=O)C1=O)C4=CC=CC=N4
InChI=1SC23H25N3O5c125(2)105112620(1663492416)19(22(28)23(26)29)21(27)15781718(1415)3113123017h3469142027H51013H212H3b2119+
MFCD18249345
ZINC000100426114
ZINC000100426120

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Available files

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