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

Catalog ID
STK561277
SMILES COc1ccc(c(c1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1cnn(c1C)c1ccccc1)/[O-])OC

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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 C27H30N4O5 MW 490.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O5/c1-17-21(16-28-31(17)18-9-7-6-8-10-18)25(32)23-24(20-15-19(35-4)11-12-22(20)36-5)30(14-13-29(2)3)27(34)26(23)33/h6-12,15-16,24,32H,13-14H2,1-5H3/b25-23+
InChIKey
OOWRDZAKYPFMJG-WJTDDFOZSA-N
Synonyms
908229-17-4
(4E)5(25dimethoxyphenyl)1(2(dimethylamino)ethyl)4(hydroxy(5methyl1phenylpyrazol4yl)methylidene)pyrrolidine23dione
(4E)5(25DIMETHOXYPHENYL)1(2DIMETHYLAMINOETHYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(25dimethoxyphenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(2(25DIMETHOXYPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
5(25DIMETHOXYPHENYL)1(2(DIMETHYLAMINO)ETHYL)3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)3PYRROLIN2ONE
908229174
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCN(C)C)C4=C(C=CC(=C4)OC)OC)O
COc1ccc(c(c1)C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1cnn(c1C)c1ccccc1)(O))OC
InChI=1SC27H30N4O5c11721(162831(17)1897681018)25(32)2324(201519(354)111222(20)365)30(141329(2)3)27(34)26(23)33h61215162432H1314H215H3b2523+
MFCD18243746
ZINC000102502688
ZINC000102502694

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Available files

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