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

Catalog ID
STL047114
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CCC[NH+](C)C)/[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 C22H27N3O5S MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O5S/c1-12-15(13(2)23-17(12)22(29)30-5)19(26)16-18(14-8-6-11-31-14)25(21(28)20(16)27)10-7-9-24(3)4/h6,8,11,18,23,26H,7,9-10H2,1-5H3/b19-16+
InChIKey
MNIGRGXJRYGOBV-KNTRCKAVSA-N
Synonyms
579442-69-6
(E)(1(3(dimethylammonio)propyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
4(1(3DIMETHYLAMINOPROPYL)4HYDROXY5OXO2THIOPHEN2YL25DIHYDRO1HPYRROLE3CARBONYL)35DIMETHYL1HPYRROLE2CARBOXYLICACIDMETHYLESTER
579442696
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC=CS3)O)C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccs1)CCC(NH+)(C)C)(O))C
InChI=1SC22H27N3O5Sc11215(13(2)2317(12)22(29)305)19(26)1618(1486113114)25(21(28)20(16)27)107924(3)4h6811182326H7910H215H3b1916+
METHYL4((1(3(DIMETHYLAMINO)PROPYL)4HYDROXY5OXO2(2THIENYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(1(3(DIMETHYLAMINO)PROPYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18248996
ZINC000102881595
ZINC000102881598

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Available files

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