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

Catalog ID
STL038712
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2c(C)[nH]c(c2C)C(=O)OC)/[O-])/C1c1cccs1)CC

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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 C23H29N3O5S MW 459.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O5S/c1-6-25(7-2)10-11-26-19(15-9-8-12-32-15)17(21(28)22(26)29)20(27)16-13(3)18(23(30)31-5)24-14(16)4/h8-9,12,19,24,27H,6-7,10-11H2,1-5H3/b20-17+
InChIKey
DDLQZWLJPRHMOK-LVZFUZTISA-N
Synonyms
586992-01-0
(E)(1(2(diethylammonio)ethyl)45dioxo2(thiophen2yl)pyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
4(1(2DIETHYLAMINOETHYL)4HYDROXY5OXO2THIOPHEN2YL25DIHYDRO1HPYRROLE3CARBONYL)35DIMETHYL1HPYRROLE2CARBOXYLICACIDMETHYLESTER
586992010
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2c(C)(nH)c(c2C)C(=O)OC)(O))C1c1cccs1)CC
CCN(CC)CCN1C(C(=C(C2=C(NC(=C2C)C(=O)OC)C)O)C(=O)C1=O)C3=CC=CS3
InChI=1SC23H29N3O5Sc1625(72)10112619(1598123215)17(21(28)22(26)29)20(27)1613(3)18(23(30)315)2414(16)4h8912192427H671011H215H3b2017+
METHYL4((1(2(DIETHYLAMINO)ETHYL)4HYDROXY5OXO2(2THIENYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
methyl4((E)(1(2(diethylamino)ethyl)45dioxo2thiophen2ylpyrrolidin3ylidene)hydroxymethyl)35dimethyl1Hpyrrole2carboxylate
METHYL4((E)(1(2DIETHYLAMINOETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(1(2DIETHYLAMINOETHYL)45DIOXO2THIOPHEN2YLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18247689
ZINC000009043820
ZINC000009043822

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Available files

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