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

Catalog ID
STL045655
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CC[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 C21H25N3O5S MW 431.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O5S/c1-11-14(12(2)22-16(11)21(28)29-5)18(25)15-17(13-7-6-10-30-13)24(9-8-23(3)4)20(27)19(15)26/h6-7,10,17,22,25H,8-9H2,1-5H3/b18-15+
InChIKey
XIBWHNFFLBYBGX-OBGWFSINSA-N
Synonyms
848766-52-9
(E)(1(2(dimethylammonio)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
4(1(2DIMETHYLAMINOETHYL)4HYDROXY5OXO2THIOPHEN2YL25DIHYDRO1HPYRROLE3CARBONYL)35DIMETHYL1HPYRROLE2CARBOXYLICACIDMETHYLESTER
848766529
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC=CS3)(O))C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccs1)CC(NH+)(C)C)(O))C
InChI=1SC21H25N3O5Sc11114(12(2)2216(11)21(28)295)18(25)1517(1376103013)24(9823(3)4)20(27)19(15)26h6710172225H89H215H3b1815+
METHYL4((E)(1(2DIMETHYLAMINOETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18248677
ZINC000102877699
ZINC000102877701

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Available files

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