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

Catalog ID
STK560939
SMILES C[NH+](CCN1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2cnn(c2C)c2ccccc2)\[O-])/C(=O)C1=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 C25H25N5O5 MW 475.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N5O5/c1-16-20(15-26-29(16)18-9-5-4-6-10-18)23(31)21-22(17-8-7-11-19(14-17)30(34)35)28(13-12-27(2)3)25(33)24(21)32/h4-11,14-15,22,31H,12-13H2,1-3H3/b23-21+
InChIKey
YCIQMJYMBMAHGG-XTQSDGFTSA-N
Synonyms
955896-91-0
(4E)1(2(dimethylamino)ethyl)4(hydroxy(5methyl1phenylpyrazol4yl)methylidene)5(3nitrophenyl)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
(4Z)1(2DIMETHYLAMINOETHYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)5(3NITROPHENYL)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(3nitrophenyl)45dioxopyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(3NITROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)5(3NITROPHENYL)3PYRROLIN2ONE
955896910
C(NH+)(CCN1C(c2cccc(c2)(N+)(=O)(O))C(=C(c2cnn(c2C)c2ccccc2)(O))C(=O)C1=O)C
CC1=C(C=NN1C2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCN(C)C)C4=CC(=CC=C4)(N+)(=O)(O))O
InChI=1SC25H25N5O5c11620(152629(16)1895461018)23(31)2122(17871119(1417)30(34)35)28(131227(2)3)25(33)24(21)32h41114152231H1213H213H3b2321+
MFCD18243668
ZINC000102500195
ZINC000102500206

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Available files

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