Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl[2-(5-methylfuran-2-yl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STL051120
SMILES Cc1ccc(o1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1
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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 C24H20N2O6 MW 432.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O6/c1-14-4-6-18(32-14)21-20(22(27)16-5-7-17-19(11-16)31-10-9-30-17)23(28)24(29)26(21)13-15-3-2-8-25-12-15/h2-8,11-12,21,27H,9-10,13H2,1H3/b22-20+InChIKey
FHXDCBKFYXBFMI-LSDHQDQOSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(5METHYLFURAN2YL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE(E)23DIHYDRO14BENZODIOXIN6YL(2(5METHYLFURAN2YL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)23dihydro14benzodioxin6yl(2(5methylfuran2yl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
CC1=CC=C(O1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CC5=CN=CC=C5
Cc1ccc(o1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
Registry IDs
MFCD18249374ZINC000102888391
ZINC000102888393
Check stock
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Check stock on Vitas-MAvailable files
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