Vitas-M small molecule compound
(E)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)[2-(5-methylfuran-2-yl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK559481
SMILES Cc1ccc(o1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[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 C25H22N2O5 MW 430.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O5/c1-14-5-7-20(31-14)22-21(23(28)17-6-8-19-18(11-17)10-15(2)32-19)24(29)25(30)27(22)13-16-4-3-9-26-12-16/h3-9,11-12,15,22,28H,10,13H2,1-2H3/b23-21+InChIKey
XXZLBFOEAZYFRH-XTQSDGFTSA-NSynonyms
(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(5METHYLFURAN2YL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2METHYL23DIHYDRO1BENZOFURAN5YL)(2(5METHYLFURAN2YL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(2methyl23dihydro1benzofuran5yl)(2(5methylfuran2yl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CC4=CN=CC=C4)C5=CC=C(O5)C)O
Cc1ccc(o1)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1Cc1ccc(nH+)c1
InChI=1SC25H22N2O5c1145720(3114)2221(23(28)17681918(1117)1015(2)3219)24(29)25(30)27(22)1316439261216h391112152228H1013H212H3b2321+
MFCD18243279
ZINC000102487496
ZINC000102641628
Check stock
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Check stock on Vitas-MAvailable files
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