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3-{[4-hydroxy-5-(2-methylphenyl)-2-oxo-6-sulfanyl-2,5-dihydropyridin-3-yl][4-methoxy-3-(piperidinium-1-ylmethyl)phenyl]methyl}-5-(2-methylphenyl)-2-oxo-6-sulfanyl-2,5-dihydropyridin-4-olate

Catalog ID
STK562926
SMILES COc1ccc(cc1C[NH+]1CCCCC1)C(C1=C(O)C(C(=NC1=O)S)c1ccccc1C)C1=C([O-])C(C(=NC1=O)S)c1ccccc1C

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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 C38H39N3O5S2 MW 681.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H39N3O5S2/c1-21-11-5-7-13-25(21)29-33(42)31(35(44)39-37(29)47)28(23-15-16-27(46-3)24(19-23)20-41-17-9-4-10-18-41)32-34(43)30(38(48)40-36(32)45)26-14-8-6-12-22(26)2/h5-8,11-16,19,28-30,42-43H,4,9-10,17-18,20H2,1-3H3,(H,39,44,47)(H,40,45,48)
InChIKey
LNWDOZXUBGBRET-UHFFFAOYSA-N
Synonyms

3((2HYDROXY5(2METHYLPHENYL)4OXO6SULFANYLIDENE1HPYRIDIN3YL)(4METHOXY3(PIPERIDIN1IUM1YLMETHYL)PHENYL)METHYL)5(2METHYLPHENYL)4OXO6SULFANYLIDENE1HPYRIDIN2OLATE
3((4hydroxy5(2methylphenyl)2oxo6sulfanyl25dihydropyridin3yl)(4methoxy3(piperidinium1ylmethyl)phenyl)methyl)5(2methylphenyl)2oxo6sulfanyl25dihydropyridin4olate
4hydroxy5((4hydroxy3(2methylphenyl)6oxo2sulfanylidene3Hpyridin5yl)(4methoxy3(piperidin1ylmethyl)phenyl)methyl)3(2methylphenyl)2sulfanylidene3Hpyridin6one
6HYDROXY5((2HYDROXY5(2METHYLPHENYL)4OXO6SULFANYLIDENE1HPYRIDIN3YL)(4METHOXY3(PIPERIDIN1YLMETHYL)PHENYL)METHYL)3(2METHYLPHENYL)2SULFANYLIDENE1HPYRIDIN4ONE
CC1=CC=CC=C1C2C(=C(C(=O)NC2=S)C(C3=CC(=C(C=C3)OC)CN4CCCCC4)C5=C(C(C(=S)NC5=O)C6=CC=CC=C6C)O)O
COc1ccc(cc1C(NH+)1CCCCC1)C(C1=C(O)C(C(=NC1=O)S)c1ccccc1C)C1=C((O))C(C(=NC1=O)S)c1ccccc1C
InChI=1SC38H39N3O5S2c12111571325(21)2933(42)31(35(44)3937(29)47)28(23151627(463)24(1923)20411794101841)3234(43)30(38(48)4036(32)45)2614861222(26)2h5811161928304243H4910171820H213H3(H394447)(H404548)
MFCD04074848
ZINC000150452034
ZINC000150623613

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Available files

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