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

Catalog ID
STK563380
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)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 C28H37N3O8 MW 543.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37N3O8/c1-9-39-28(35)22-15(2)20(16(3)29-22)24(32)21-23(31(27(34)25(21)33)12-10-11-30(4)5)17-13-18(36-6)26(38-8)19(14-17)37-7/h13-14,23,29,32H,9-12H2,1-8H3/b24-21+
InChIKey
SDFLFVSHVQQACN-DARPEHSRSA-N
Synonyms
849912-24-9
(E)(1(3(dimethylammonio)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
849912249
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)CCC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC(=C(C(=C3)OC)OC)OC)O)C
ETHYL4((1(3(DIMETHYLAMINO)PROPYL)4HYDROXY5OXO2(345TRIMETHOXYPHENYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC28H37N3O8c193928(35)2215(2)20(16(3)2922)24(32)2123(31(27(34)25(21)33)12101130(4)5)171318(366)26(388)19(1417)377h1314232932H912H218H3b2421+
MFCD18244283
ZINC000102520033
ZINC000102520042

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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