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

Catalog ID
STK563836
SMILES COc1ccc(cc1C[NH+]1CCCCC1)C(C1=C(O)C(C(=NC1=O)S)c1ccccc1OC)C1=C([O-])C(C(=NC1=O)S)c1ccccc1OC

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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 C38H39N3O7S2 MW 713.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H39N3O7S2/c1-46-25-16-15-21(19-22(25)20-41-17-9-4-10-18-41)28(31-33(42)29(37(49)39-35(31)44)23-11-5-7-13-26(23)47-2)32-34(43)30(38(50)40-36(32)45)24-12-6-8-14-27(24)48-3/h5-8,11-16,19,28-30,42-43H,4,9-10,17-18,20H2,1-3H3,(H,39,44,49)(H,40,45,5
InChIKey
OENHLHXEBRHHIS-UHFFFAOYSA-N
Synonyms

3((2HYDROXY5(2METHOXYPHENYL)4OXO6SULFANYLIDENE1HPYRIDIN3YL)(4METHOXY3(PIPERIDIN1IUM1YLMETHYL)PHENYL)METHYL)5(2METHOXYPHENYL)4OXO6SULFANYLIDENE1HPYRIDIN2OLATE
3((4hydroxy5(2methoxyphenyl)2oxo6sulfanyl25dihydropyridin3yl)(4methoxy3(piperidinium1ylmethyl)phenyl)methyl)5(2methoxyphenyl)2oxo6sulfanyl25dihydropyridin4olate
5((4hydroxy3(2methoxyphenyl)6oxo2sulfanylidene3Hpyridin5yl)(4methoxy3(piperidin1ium1ylmethyl)phenyl)methyl)3(2methoxyphenyl)6oxo2sulfanylidene3Hpyridin4olate
6HYDROXY5((2HYDROXY5(2METHOXYPHENYL)4OXO6SULFANYLIDENE1HPYRIDIN3YL)(4METHOXY3(PIPERIDIN1YLMETHYL)PHENYL)METHYL)3(2METHOXYPHENYL)2SULFANYLIDENE1HPYRIDIN4ONE
COC1=C(C=C(C=C1)C(C2=C(C(C(=S)NC2=O)C3=CC=CC=C3OC)O)C4=C(C(C(=S)NC4=O)C5=CC=CC=C5OC)(O))C(NH+)6CCCCC6
COc1ccc(cc1C(NH+)1CCCCC1)C(C1=C(O)C(C(=NC1=O)S)c1ccccc1OC)C1=C((O))C(C(=NC1=O)S)c1ccccc1OC
InChI=1SC38H39N3O7S2c14625161521(1922(25)20411794101841)28(3133(42)29(37(49)3935(31)44)2311571326(23)472)3234(43)30(38(50)4036(32)45)2412681427(24)483h5811161928304243H4910171820H213H3(H394449)(H404550)
MFCD04075496
ZINC000150453499
ZINC000150623762

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Available files

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