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(E)-[2-(4-ethylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][2-methyl-4-(2-methylpropoxy)phenyl]methanolate

Catalog ID
STK563409
SMILES CCc1ccc(cc1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)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 C30H32N2O4 MW 484.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O4/c1-5-21-8-10-23(11-9-21)27-26(29(34)30(35)32(27)17-22-7-6-14-31-16-22)28(33)25-13-12-24(15-20(25)4)36-18-19(2)3/h6-16,19,27,33H,5,17-18H2,1-4H3/b28-26+
InChIKey
KQNBYINPMISPGC-BYCLXTJYSA-N
Synonyms
500146-14-5
(4E)5(4ETHYLPHENYL)4(HYDROXY(2METHYL4(2METHYLPROPOXY)PHENYL)METHYLIDENE)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(2(4ETHYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(2METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
(E)(2(4ethylphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
5(4ETHYLPHENYL)3HYDROXY4((2METHYL4(2METHYLPROPOXY)PHENYL)CARBONYL)1(3PYRIDYLMETHYL)3PYRROLIN2ONE
500146145
CCC1=CC=C(C=C1)C2C(=C(C3=C(C=C(C=C3)OCC(C)C)C)(O))C(=O)C(=O)N2CC4=C(NH+)=CC=C4
CCc1ccc(cc1)C1N(Cc2ccc(nH+)c2)C(=O)C(=O)C1=C(c1ccc(cc1C)OCC(C)C)(O)
InChI=1SC30H32N2O4c152181023(11921)2726(29(34)30(35)32(27)17227614311622)28(33)25131224(1520(25)4)361819(2)3h616192733H51718H214H3b2826+
MFCD18244291
ZINC000102520263
ZINC000102520270

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Available files

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