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(E)-{2-(2-fluorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate

Catalog ID
STK563529
SMILES COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)CCC[NH+]1CCOCC1)/[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 C25H27FN2O5 MW 454.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27FN2O5/c1-32-18-7-4-6-17(16-18)23(29)21-22(19-8-2-3-9-20(19)26)28(25(31)24(21)30)11-5-10-27-12-14-33-15-13-27/h2-4,6-9,16,22,29H,5,10-15H2,1H3/b23-21+
InChIKey
OATBWIIKCMFITJ-XTQSDGFTSA-N
Synonyms
608504-59-2
(4E)5(2FLUOROPHENYL)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(4Z)5(2FLUOROPHENYL)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(2fluorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(3methoxyphenyl)methanolate
(E)(2(2FLUOROPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHOXYPHENYL)METHANOLATE
5(2FLUOROPHENYL)3HYDROXY4((3METHOXYPHENYL)CARBONYL)1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
608504592
COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC=CC=C4F)(O)
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1ccccc1F)CCC(NH+)1CCOCC1)(O)
InChI=1SC25H27FN2O5c1321874617(1618)23(29)2122(19823920(19)26)28(25(31)24(21)30)1151027121433151327h2469162229H51015H21H3b2321+
MFCD18244322
ZINC000102521257
ZINC000102521265

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Available files

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