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(E)-{2-(4-fluorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

Catalog ID
STK564785
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)CC[NH+]1CCOCC1)/[O-])C

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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 C25H28FN3O6 MW 485.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28FN3O6/c1-14-18(15(2)27-20(14)25(33)34-3)22(30)19-21(16-4-6-17(26)7-5-16)29(24(32)23(19)31)9-8-28-10-12-35-13-11-28/h4-7,21,27,30H,8-13H2,1-3H3/b22-19+
InChIKey
QJLGWASVVJBBSL-ZBJSNUHESA-N
Synonyms
847914-85-6
(E)(2(4fluorophenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(4FLUOROPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
847914856
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=C(C=C4)F)O)C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)CC(NH+)1CCOCC1)(O))C
InChI=1SC25H28FN3O6c11418(15(2)2720(14)25(33)343)22(30)1921(164617(26)7516)29(24(32)23(19)31)9828101235131128h47212730H813H213H3b2219+
METHYL4((2(4FLUOROPHENYL)4HYDROXY1(2MORPHOLIN4YLETHYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(2(4FLUOROPHENYL)1(2MORPHOLIN4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(2(4FLUOROPHENYL)1(2MORPHOLIN4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18244614
ZINC000102530281
ZINC000102530290

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Available files

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