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

Catalog ID
STK558869
SMILES COC(=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 C27H35N3O8 MW 529.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O8/c1-14-19(15(2)28-21(14)27(34)38-8)23(31)20-22(30(26(33)24(20)32)11-9-10-29(3)4)16-12-17(35-5)25(37-7)18(13-16)36-6/h12-13,22,28,31H,9-11H2,1-8H3/b23-20+
InChIKey
BFKGNASGYGDMSZ-BSYVCWPDSA-N
Synonyms
879921-36-5
(E)(1(3(dimethylammonio)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
879921365
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC(=C(C(=C3)OC)OC)OC)(O))C)C(=O)OC
COC(=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
InChI=1SC27H35N3O8c11419(15(2)2821(14)27(34)388)23(31)2022(30(26(33)24(20)32)1191029(3)4)161217(355)25(377)18(1316)366h1213222831H911H218H3b2320+
METHYL4((1(3(DIMETHYLAMINO)PROPYL)4HYDROXY5OXO2(345TRIMETHOXYPHENYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(3(DIMETHYLAMINO)PROPYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18243132
ZINC000102482849
ZINC000102482858

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Available files

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

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