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(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}[3-fluoro-4-(propan-2-yloxy)phenyl]methanolate

Catalog ID
STK584669
SMILES C[NH+](CCN1C(c2cccs2)/C(=C(/c2ccc(c(c2)F)OC(C)C)\[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 C22H25FN2O4S MW 432.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25FN2O4S/c1-13(2)29-16-8-7-14(12-15(16)23)20(26)18-19(17-6-5-11-30-17)25(10-9-24(3)4)22(28)21(18)27/h5-8,11-13,19,26H,9-10H2,1-4H3/b20-18+
InChIKey
LDMSSYDOCFNOSS-CZIZESTLSA-N
Synonyms
902311-62-0
(4E)1(2(dimethylamino)ethyl)4((3fluoro4propan2yloxyphenyl)hydroxymethylidene)5thiophen2ylpyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)4((3FLUORO4PROPAN2YLOXYPHENYL)HYDROXYMETHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
(4Z)1(2DIMETHYLAMINOETHYL)4((3FLUORO4PROPAN2YLOXYPHENYL)HYDROXYMETHYLIDENE)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)(3fluoro4(propan2yloxy)phenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)(3FLUORO4PROPAN2YLOXYPHENYL)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)4((3FLUORO4(METHYLETHOXY)PHENYL)CARBONYL)3HYDROXY5(2THIENYL)3PYRROLIN2ONE
902311620
C(NH+)(CCN1C(c2cccs2)C(=C(c2ccc(c(c2)F)OC(C)C)(O))C(=O)C1=O)C
CC(C)OC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC=CS3)O)F
InChI=1SC22H25FN2O4Sc113(2)29168714(1215(16)23)20(26)1819(1765113017)25(10924(3)4)22(28)21(18)27h5811131926H910H214H3b2018+
MFCD18245753
ZINC000102597332
ZINC000102597338

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Available files

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