Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl[2-(4-methoxyphenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL054146
SMILES COc1ccc(cc1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1
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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 C26H22N2O6 MW 458.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O6/c1-32-19-5-2-17(3-6-19)23-22(24(29)18-4-7-20-21(14-18)34-13-12-33-20)25(30)26(31)28(23)15-16-8-10-27-11-9-16/h2-11,14,23,29H,12-13,15H2,1H3/b24-22+InChIKey
IGAHGTGTKCHDPX-ZNTNEXAZSA-NSynonyms
620566-48-5(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4METHOXYPHENYL)1(PYRIDIN4YLMETHYL)PYRROLIDINE23DIONE
(E)23DIHYDRO14BENZODIOXIN6YL(2(4METHOXYPHENYL)45DIOXO1(PYRIDIN1IUM4YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)23dihydro14benzodioxin6yl(2(4methoxyphenyl)45dioxo1(pyridinium4ylmethyl)pyrrolidin3ylidene)methanolate
620566485
COC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CC=NC=C5
COc1ccc(cc1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1Cc1cc(nH+)cc1
InChI=1SC26H22N2O6c132195217(3619)2322(24(29)18472021(1418)3413123320)25(30)26(31)28(23)15168102711916h211142329H121315H21H3b2422+
MFCD18249581
ZINC000102892805
ZINC000102892807
Check stock
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