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

Catalog ID
STK564729
SMILES COc1cc(cc(c1OC)OC)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCC(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 C30H40N2O7 MW 540.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H40N2O7/c1-18(2)17-39-22-11-10-20(14-19(22)3)27(33)25-26(32(30(35)28(25)34)13-9-12-31(4)5)21-15-23(36-6)29(38-8)24(16-21)37-7/h10-11,14-16,18,26,33H,9,12-13,17H2,1-8H3/b27-25+
InChIKey
BFHCRFJPLVAMIZ-IMVLJIQESA-N
Synonyms
488809-77-4
(4E)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(3METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)5(345TRIMETHOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(3(dimethylammonio)propyl)45dioxo2(345trimethoxyphenyl)pyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2(345TRIMETHOXYPHENYL)PYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
488809774
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN(C)C)C3=CC(=C(C(=C3)OC)OC)OC)O)OCC(C)C
COc1cc(cc(c1OC)OC)C1N(CCC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCC(C)C)(O)
InChI=1SC30H40N2O7c118(2)173922111020(1419(22)3)27(33)2526(32(30(35)28(25)34)1391231(4)5)211523(366)29(388)24(1621)377h10111416182633H9121317H218H3b2725+
MFCD18244601
ZINC000102529882
ZINC000102529886

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Available files

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