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(E)-{1-[3-(dimethylammonio)propyl]-2-(4-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(5-methyl-1-phenyl-1H-pyrazol-4-yl)methanolate

Catalog ID
STK562979
SMILES COc1ccc(cc1)C1N(CCC[NH+](C)C)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 C27H30N4O4 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O4/c1-18-22(17-28-31(18)20-9-6-5-7-10-20)25(32)23-24(19-11-13-21(35-4)14-12-19)30(27(34)26(23)33)16-8-15-29(2)3/h5-7,9-14,17,24,32H,8,15-16H2,1-4H3/b25-23+
InChIKey
JGDYFAGGSCVJFT-WJTDDFOZSA-N
Synonyms
955894-29-8
(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)5(4METHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4methoxyphenyl)45dioxopyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(4METHOXYPHENYL)4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)3PYRROLIN2ONE
955894298
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCC(NH+)(C)C)C4=CC=C(C=C4)OC)(O)
COc1ccc(cc1)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1cnn(c1C)c1ccccc1)(O)
InChI=1SC27H30N4O4c11822(172831(18)2096571020)25(32)2324(19111321(354)141219)30(27(34)26(23)33)1681529(2)3h57914172432H81516H214H3b2523+
MFCD18244170
ZINC000102516762
ZINC000102516771

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Available files

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