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

Catalog ID
STK565221
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)CC[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/c1-9-38-27(34)21-14(2)19(15(3)28-21)23(31)20-22(30(11-10-29(4)5)26(33)24(20)32)16-12-17(35-6)25(37-8)18(13-16)36-7/h12-13,22,28,31H,9-11H2,1-8H3/b23-20+
InChIKey
KZBKVFHJASDNOR-BSYVCWPDSA-N
Synonyms
847242-97-1
(E)(1(2(dimethylammonio)ethyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
847242971
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cc(OC)c(c(c1)OC)OC)CC(NH+)(C)C)(O))C
CCOC(=O)C1=C(C(=C(N1)C)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC(=C(C(=C3)OC)OC)OC)O)C
ETHYL4((1(2(DIMETHYLAMINO)ETHYL)4HYDROXY5OXO2(345TRIMETHOXYPHENYL)(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ethyl4((E)(1(2(dimethylamino)ethyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)hydroxymethyl)35dimethyl1Hpyrrole2carboxylate
ETHYL4((E)(1(2DIMETHYLAMINOETHYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC27H35N3O8c193827(34)2114(2)19(15(3)2821)23(31)2022(30(111029(4)5)26(33)24(20)32)161217(356)25(378)18(1316)367h1213222831H911H218H3b2320+
MFCD18244723
ZINC000102533425
ZINC000102533432

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Available files

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