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(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}[3-methyl-4-(propan-2-yloxy)phenyl]methanolate

Catalog ID
STK561558
SMILES COc1cc(cc(c1OC)OC)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OC(C)C)/[O-]

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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 C28H36N2O7 MW 512.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O7/c1-16(2)37-20-10-9-18(13-17(20)3)25(31)23-24(30(12-11-29(4)5)28(33)26(23)32)19-14-21(34-6)27(36-8)22(15-19)35-7/h9-10,13-16,24,31H,11-12H2,1-8H3/b25-23+
InChIKey
LNPLYVIHCQPFDL-WJTDDFOZSA-N
Synonyms
371120-16-0
(4E)1(2(dimethylamino)ethyl)4(hydroxy(3methyl4propan2yloxyphenyl)methylidene)5(345trimethoxyphenyl)pyrrolidine23dione
(4E)1(2DIMETHYLAMINOETHYL)4(HYDROXY(3METHYL4PROPAN2YLOXYPHENYL)METHYLIDENE)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)(3methyl4(propan2yloxy)phenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(3METHYL4PROPAN2YLOXYPHENYL)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)3HYDROXY4(4ISOPROPOXY3METHYLBENZOYL)5(345TRIMETHOXYPHENYL)1HPYRROL2(5H)ONE
371120160
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC(=C(C(=C3)OC)OC)OC)O)OC(C)C
COc1cc(cc(c1OC)OC)C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OC(C)C)(O)
InChI=1SC28H36N2O7c116(2)372010918(1317(20)3)25(31)2324(30(121129(4)5)28(33)26(23)32)191421(346)27(368)22(1519)357h91013162431H1112H218H3b2523+
MFCD18243823
ZINC000102504975
ZINC000102504984

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Available files

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