Vitas-M small molecule compound
(E)-[4,5-dioxo-1-(2-phenylethyl)-2-(pyridinium-3-yl)pyrrolidin-3-ylidene](2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL037026
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc[nH+]c1)CCc1ccccc1)/[O-]
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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 C27H24N2O4 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O4/c1-17-14-21-15-19(9-10-22(21)33-17)25(30)23-24(20-8-5-12-28-16-20)29(27(32)26(23)31)13-11-18-6-3-2-4-7-18/h2-10,12,15-17,24,30H,11,13-14H2,1H3/b25-23+InChIKey
RQUDILXSBYUZPA-WJTDDFOZSA-NSynonyms
(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(2phenylethyl)5pyridin3ylpyrrolidine23dione
(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1PHENETHYL5PYRIDIN3YLPYRROLIDINE23DIONE
(E)(45dioxo1(2phenylethyl)2(pyridinium3yl)pyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(45DIOXO1PHENETHYL2PYRIDIN1IUM3YLPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCC4=CC=CC=C4)C5=CN=CC=C5)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccc(nH+)c1)CCc1ccccc1)(O)
InChI=1SC27H24N2O4c11714211519(91022(21)3317)25(30)2324(208512281620)29(27(32)26(23)31)1311186324718h2101215172430H111314H21H3b2523+
MFCD18247343
ZINC000102771214
ZINC000102771220
Check stock
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Check stock on Vitas-MAvailable files
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