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

Catalog ID
STK562530
SMILES CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)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 C25H31N3O6 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O6/c1-7-34-25(32)20-14(2)18(15(3)26-20)22(29)19-21(16-9-8-10-17(13-16)33-6)28(12-11-27(4)5)24(31)23(19)30/h8-10,13,21,26,29H,7,11-12H2,1-6H3/b22-19+
InChIKey
COMAMCHQAHVKIU-ZBJSNUHESA-N
Synonyms

(E)(1(2(dimethylammonio)ethyl)2(3methoxyphenyl)45dioxopyrrolidin3ylidene)(5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
CCOC(=O)c1(nH)c(c(c1C)C(=C1C(=O)C(=O)N(C1c1cccc(c1)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(=CC=C3)OC)O)C
ETHYL4((1(2(DIMETHYLAMINO)ETHYL)4HYDROXY2(3METHOXYPHENYL)5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
ethyl4((E)(1(2(dimethylamino)ethyl)2(3methoxyphenyl)45dioxopyrrolidin3ylidene)hydroxymethyl)35dimethyl1Hpyrrole2carboxylate
ETHYL4((E)(1(2DIMETHYLAMINOETHYL)2(3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
ETHYL4((Z)(1(2DIMETHYLAMINOETHYL)2(3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
InChI=1SC25H31N3O6c173425(32)2014(2)18(15(3)2620)22(29)1921(16981017(1316)336)28(121127(4)5)24(31)23(19)30h81013212629H71112H216H3b2219+
MFCD18244061
ZINC000102513203
ZINC000102513212

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Available files

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