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(E)-(3,4-dimethoxyphenyl){1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}methanolate

Catalog ID
STL037236
SMILES COc1ccc(cc1OC)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CCC[NH+](C)C)/[O-]

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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 C22H26N2O5S MW 430.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O5S/c1-23(2)10-6-11-24-19(17-7-5-12-30-17)18(21(26)22(24)27)20(25)14-8-9-15(28-3)16(13-14)29-4/h5,7-9,12-13,19,25H,6,10-11H2,1-4H3/b20-18+
InChIKey
RFRUMBVBRWRKPR-CZIZESTLSA-N
Synonyms
615270-28-5
(4E)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(4Z)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)5THIOPHEN2YLPYRROLIDINE23DIONE
(E)(34dimethoxyphenyl)(1(3(dimethylammonio)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)methanolate
(E)(34DIMETHOXYPHENYL)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)METHANOLATE
4((34DIMETHOXYPHENYL)CARBONYL)1(3(DIMETHYLAMINO)PROPYL)3HYDROXY5(2THIENYL)3PYRROLIN2ONE
615270285
C(NH+)(C)CCCN1C(C(=C(C2=CC(=C(C=C2)OC)OC)(O))C(=O)C1=O)C3=CC=CS3
COc1ccc(cc1OC)C(=C1C(=O)C(=O)N(C1c1cccs1)CCC(NH+)(C)C)(O)
InChI=1SC22H26N2O5Sc123(2)106112419(1775123017)18(21(26)22(24)27)20(25)148915(283)16(1314)294h57912131925H61011H214H3b2018+
MFCD18247388
ZINC000102859080
ZINC000102859084

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Available files

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