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

Catalog ID
STL149432
SMILES COc1ccc(c(c1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[O-])OC

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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 C25H31N3O7 MW 485.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O7/c1-13-18(14(2)26-20(13)25(32)35-7)22(29)19-21(16-12-15(33-5)8-9-17(16)34-6)28(11-10-27(3)4)24(31)23(19)30/h8-9,12,21,26,29H,10-11H2,1-7H3/b22-19+
InChIKey
WUYJQSHTSRHQGX-ZBJSNUHESA-N
Synonyms
861109-51-5
(E)(2(25dimethoxyphenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(2(25DIMETHOXYPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
861109515
CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=C(C=CC(=C3)OC)OC)O)C)C(=O)OC
COc1ccc(c(c1)C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1c(C)(nH)c(c1C)C(=O)OC)(O))OC
InChI=1SC25H31N3O7c11318(14(2)2620(13)25(32)357)22(29)1921(161215(335)8917(16)346)28(111027(3)4)24(31)23(19)30h8912212629H1011H217H3b2219+
METHYL4((2(25DIMETHOXYPHENYL)1(2(DIMETHYLAMINO)ETHYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
methyl4((E)(2(25dimethoxyphenyl)1(2(dimethylamino)ethyl)45dioxopyrrolidin3ylidene)hydroxymethyl)35dimethyl1Hpyrrole2carboxylate
METHYL4((E)(2(25DIMETHOXYPHENYL)1(2DIMETHYLAMINOETHYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD20755607
ZINC000102929005
ZINC000102929008

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Available files

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