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(E)-{2-(3-fluorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate

Catalog ID
STK560091
SMILES Fc1cccc(c1)C1N(CC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1cnn(c1C)c1ccccc1)/[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 C27H27FN4O4 MW 490.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27FN4O4/c1-18-22(17-29-32(18)21-8-3-2-4-9-21)25(33)23-24(19-6-5-7-20(28)16-19)31(27(35)26(23)34)11-10-30-12-14-36-15-13-30/h2-9,16-17,24,33H,10-15H2,1H3/b25-23+
InChIKey
QINUCLNMZYMVRY-WJTDDFOZSA-N
Synonyms
955876-35-4
(4E)5(3FLUOROPHENYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(4Z)5(3FLUOROPHENYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(3fluorophenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(2(3FLUOROPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
5(3FLUOROPHENYL)3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
955876354
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC(NH+)4CCOCC4)C5=CC(=CC=C5)F)(O)
Fc1cccc(c1)C1N(CC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1cnn(c1C)c1ccccc1)(O)
InChI=1SC27H27FN4O4c11822(172932(18)218324921)25(33)2324(1965720(28)1619)31(27(35)26(23)34)111030121436151330h2916172433H1015H21H3b2523+
MFCD18243444
ZINC000102492929
ZINC000102492937

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Available files

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