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

Catalog ID
STL046157
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)ccc1OC)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 C27H35N3O7 MW 513.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O7/c1-8-37-27(34)22-15(2)20(16(3)28-22)24(31)21-23(18-14-17(35-6)10-11-19(18)36-7)30(26(33)25(21)32)13-9-12-29(4)5/h10-11,14,23,28,31H,8-9,12-13H2,1-7H3/b24-21+
InChIKey
PKIFDGZZWHDTLB-DARPEHSRSA-N
Synonyms
850159-37-4
(E)(2(25dimethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(25DIMETHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
850159374
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cc(OC)ccc1OC)CCC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=C(C=CC(=C3)OC)OC)(O))C
ETHYL4((2(25DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ETHYL4((E)(2(25DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC27H35N3O7c183727(34)2215(2)20(16(3)2822)24(31)2123(181417(356)101119(18)367)30(26(33)25(21)32)1391229(4)5h101114232831H891213H217H3b2421+
MFCD18248792
ZINC000102879126
ZINC000102879128

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Available files

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