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(E)-[2-(4-fluorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

Catalog ID
STK562907
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)F)Cc1ccc[nH+]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 C25H22FN3O5 MW 463.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O5/c1-13-18(14(2)28-20(13)25(33)34-3)22(30)19-21(16-6-8-17(26)9-7-16)29(24(32)23(19)31)12-15-5-4-10-27-11-15/h4-11,21,28,30H,12H2,1-3H3/b22-19+
InChIKey
TYJGPCPYNJGRHD-ZBJSNUHESA-N
Synonyms
797765-12-9
(E)(2(4FLUOROPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
(E)(2(4fluorophenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
797765129
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)F)O)C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)F)Cc1ccc(nH+)c1)(O))C
InChI=1SC25H22FN3O5c11318(14(2)2820(13)25(33)343)22(30)1921(166817(26)9716)29(24(32)23(19)31)12155410271115h411212830H12H213H3b2219+
METHYL4((2(4FLUOROPHENYL)4HYDROXY5OXO1(3PYRIDYLMETHYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(2(4FLUOROPHENYL)45DIOXO1(PYRIDIN3YLMETHYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(2(4FLUOROPHENYL)45DIOXO1(PYRIDIN3YLMETHYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18244156
ZINC000102516303
ZINC000102516311

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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