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(E)-{1-[3-(dimethylammonio)propyl]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate

Catalog ID
STK563116
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)CCC[NH+](C)C)/[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 C25H29FN2O4 MW 440.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29FN2O4/c1-4-16-32-18-12-10-17(11-13-18)23(29)21-22(19-8-5-6-9-20(19)26)28(25(31)24(21)30)15-7-14-27(2)3/h5-6,8-13,22,29H,4,7,14-16H2,1-3H3/b23-21+
InChIKey
WFUZIACCNGJXOT-XTQSDGFTSA-N
Synonyms
615275-82-6
(4E)1(3(DIMETHYLAMINO)PROPYL)5(2FLUOROPHENYL)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(2fluorophenyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(2FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)5(2FLUOROPHENYL)3HYDROXY4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
1(3(DIMETHYLAMINO)PROPYL)5(2FLUOROPHENYL)3HYDROXY4(4PROPOXYBENZOYL)15DIHYDRO2HPYRROL2ONE
615275826
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC=CC=C3F)(O)
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccccc1F)CCC(NH+)(C)C)(O)
InChI=1SC25H29FN2O4c14163218121017(111318)23(29)2122(19856920(19)26)28(25(31)24(21)30)1571427(2)3h568132229H471416H213H3b2321+
MFCD18244217
ZINC000102517949
ZINC000102517959

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Available files

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