Vitas-M small molecule compound
(E)-{2-(3,4-diethoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-fluorophenyl)methanolate
Catalog ID
STL038298
SMILES CCOc1cc(ccc1OCC)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1
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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 C27H31FN2O6 MW 498.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31FN2O6/c1-3-35-21-10-7-19(17-22(21)36-4-2)24-23(25(31)18-5-8-20(28)9-6-18)26(32)27(33)30(24)12-11-29-13-15-34-16-14-29/h5-10,17,24,31H,3-4,11-16H2,1-2H3/b25-23+InChIKey
TXBWRLUXGPTTHR-WJTDDFOZSA-NSynonyms
620140-11-6(4E)5(34DIETHOXYPHENYL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(34diethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4fluorophenyl)methanolate
(E)(2(34DIETHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4FLUOROPHENYL)METHANOLATE
5(34DIETHOXYPHENYL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
5(34DIETHOXYPHENYL)4(4FLUOROBENZOYL)3HYDROXY1(2(4MORPHOLINYL)ETHYL)15DIHYDRO2HPYRROL2ONE
620140116
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2CCN4CCOCC4)OCC
CCOc1cc(ccc1OCC)C1C(=C(c2ccc(cc2)F)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC27H31FN2O6c13352110719(1722(21)3642)2423(25(31)185820(28)9618)26(32)27(33)30(24)121129131534161429h510172431H341116H212H3b2523+
MFCD18247596
ZINC000009046704
ZINC000009176963
Check stock
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