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

Catalog ID
STK563733
SMILES C[NH+](CCCN1C(c2ccc(cc2)F)/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 C26H27FN4O3 MW 462.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27FN4O3/c1-17-21(16-28-31(17)20-8-5-4-6-9-20)24(32)22-23(18-10-12-19(27)13-11-18)30(26(34)25(22)33)15-7-14-29(2)3/h4-6,8-13,16,23,32H,7,14-15H2,1-3H3/b24-22+
InChIKey
FDRMGJGKJQYRNA-ZNTNEXAZSA-N
Synonyms
955863-85-1
(4E)1(3(DIMETHYLAMINO)PROPYL)5(4FLUOROPHENYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)PYRROLIDINE23DIONE
(4Z)1(3(DIMETHYLAMINO)PROPYL)5(4FLUOROPHENYL)4(HYDROXY(5METHYL1PHENYLPYRAZOL4YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)2(4fluorophenyl)45dioxopyrrolidin3ylidene)(5methyl1phenyl1Hpyrazol4yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHYL1PHENYLPYRAZOL4YL)METHANOLATE
1(3(DIMETHYLAMINO)PROPYL)5(4FLUOROPHENYL)3HYDROXY4((5METHYL1PHENYLPYRAZOL4YL)CARBONYL)3PYRROLIN2ONE
955863851
C(NH+)(CCCN1C(c2ccc(cc2)F)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)CCC(NH+)(C)C)C4=CC=C(C=C4)F)(O)
InChI=1SC26H27FN4O3c11721(162831(17)208546920)24(32)2223(18101219(27)131118)30(26(34)25(22)33)1571429(2)3h46813162332H71415H213H3b2422+
MFCD18244373
ZINC000102522977
ZINC000102522986

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Available files

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