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

Catalog ID
STK560308
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(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 C26H33N3O7 MW 499.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33N3O7/c1-14-19(15(2)27-21(14)26(33)36-7)23(30)20-22(16-9-10-17(34-5)18(13-16)35-6)29(25(32)24(20)31)12-8-11-28(3)4/h9-10,13,22,27,30H,8,11-12H2,1-7H3/b23-20+
InChIKey
RNVPLSOQLGPWDT-BSYVCWPDSA-N
Synonyms
846064-49-1
(E)(2(34dimethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(34DIMETHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
846064491
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC(=C(C=C3)OC)OC)O)C)C(=O)OC
COC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)CCC(NH+)(C)C)(O))C
InChI=1SC26H33N3O7c11419(15(2)2721(14)26(33)367)23(30)2022(1691017(345)18(1316)356)29(25(32)24(20)31)1281128(3)4h91013222730H81112H217H3b2320+
METHYL4((2(34DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(2(34DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
METHYL4((Z)(2(34DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18243499
ZINC000102494932
ZINC000102494940

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Available files

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