Vitas-M small molecule compound

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

Catalog ID
STK565080
SMILES COc1ccc(cc1)C1/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)11-4-12-27-22(16-5-8-18(31-3)9-6-16)21(24(29)25(27)30)23(28)17-7-10-19-20(15-17)33-14-13-32-19/h5-10,15,22,28H,4,11-14H2,1-3H3/b23-21+
InChIKey
KYWNVPCLANSZDX-XTQSDGFTSA-N
Synonyms

(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5(4METHOXYPHENYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(1(3(dimethylammonio)propyl)2(4methoxyphenyl)45dioxopyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
4(23DIHYDRO14BENZODIOXIN6YLCARBONYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(4METHOXYPHENYL)15DIHYDRO2HPYRROL2ONE
4(2H3HBENZO(34E)14DIOXAN6YLCARBONYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(4METHOXYPHENYL)3PYRROLIN2ONE
CN(C)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)O)C(=O)C1=O)C4=CC=C(C=C4)OC
COc1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC25H28N2O6c126(2)114122722(165818(313)9616)21(24(29)25(27)30)23(28)177101920(1517)3314133219h510152228H41114H213H3b2321+
MFCD18244687
ZINC000102532511
ZINC000102532519

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Available files

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