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

Catalog ID
STK561676
SMILES C[NH+](CCN1C(c2ccc(cc2)C(C)C)/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 C28H32N4O3 MW 472.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O3/c1-18(2)20-11-13-21(14-12-20)25-24(27(34)28(35)31(25)16-15-30(4)5)26(33)23-17-29-32(19(23)3)22-9-7-6-8-10-22/h6-14,17-18,25,33H,15-16H2,1-5H3/b26-24+
InChIKey
MTVWKXCOMYBYOL-SHHOIMCASA-N
Synonyms
955899-20-4
(4E)1(2(dimethylamino)ethyl)4(hydroxy(5methyl1phenylpyrazol4yl)methylidene)5(4propan2ylphenyl)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)3HYDROXY5(4(METHYLETHYL)PHENYL)4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)3PYRROLIN2ONE
955899204
C(NH+)(CCN1C(c2ccc(cc2)C(C)C)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=C(C=C4)C(C)C)O
InChI=1SC28H32N4O3c118(2)20111321(141220)2524(27(34)28(35)31(25)161530(4)5)26(33)23172932(19(23)3)2297681022h61417182533H1516H215H3b2624+
MFCD18243857
ZINC000102506073
ZINC000102506081

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Available files

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