Vitas-M small molecule compound
(E)-(4-fluorophenyl){2-(3-methoxy-4-propoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK558981
SMILES CCCOc1ccc(cc1OC)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/c1-3-14-36-21-9-6-19(17-22(21)34-2)24-23(25(31)18-4-7-20(28)8-5-18)26(32)27(33)30(24)11-10-29-12-15-35-16-13-29/h4-9,17,24,31H,3,10-16H2,1-2H3/b25-23+InChIKey
CVJJZPRJSCDZDO-WJTDDFOZSA-NSynonyms
636990-57-3(4E)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5(3METHOXY4PROPOXYPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(4fluorophenyl)(2(3methoxy4propoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4FLUOROPHENYL)(2(3METHOXY4PROPOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
4((4FLUOROPHENYL)CARBONYL)3HYDROXY5(3METHOXY4PROPOXYPHENYL)1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
4(4FLUOROBENZOYL)3HYDROXY5(3METHOXY4PROPOXYPHENYL)1(2(4MORPHOLINYL)ETHYL)15DIHYDRO2HPYRROL2ONE
636990573
CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)F)(O))C(=O)C(=O)N2CC(NH+)4CCOCC4)OC
CCCOc1ccc(cc1OC)C1C(=C(c2ccc(cc2)F)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC27H31FN2O6c131436219619(1722(21)342)2423(25(31)184720(28)8518)26(32)27(33)30(24)111029121535161329h49172431H31016H212H3b2523+
MFCD18243158
ZINC000009234227
ZINC000009234231
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