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

Catalog ID
STL044664
SMILES COc1ccc(cc1C[NH+]1CCCCC1)C(C1=C(O)C(C(=NC1=O)S)c1cccc(c1)C)C1=C([O-])C(C(=NC1=O)S)c1cccc(c1)C

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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/c1-21-9-7-11-23(17-21)29-33(42)31(35(44)39-37(29)47)28(25-13-14-27(46-3)26(19-25)20-41-15-5-4-6-16-41)32-34(43)30(38(48)40-36(32)45)24-12-8-10-22(2)18-24/h7-14,17-19,28-30,42-43H,4-6,15-16,20H2,1-3H3,(H,39,44,47)(H,40,45,48)
InChIKey
AXEJRFSNHYWKGP-UHFFFAOYSA-N
Synonyms

3((2HYDROXY5(3METHYLPHENYL)4OXO6SULFANYLIDENE1HPYRIDIN3YL)(4METHOXY3(PIPERIDIN1IUM1YLMETHYL)PHENYL)METHYL)5(3METHYLPHENYL)4OXO6SULFANYLIDENE1HPYRIDIN2OLATE
3((4hydroxy5(3methylphenyl)2oxo6sulfanyl25dihydropyridin3yl)(4methoxy3(piperidinium1ylmethyl)phenyl)methyl)5(3methylphenyl)2oxo6sulfanyl25dihydropyridin4olate
5((4hydroxy3(3methylphenyl)6oxo2sulfanylidene3Hpyridin5yl)(4methoxy3(piperidin1ium1ylmethyl)phenyl)methyl)3(3methylphenyl)6oxo2sulfanylidene3Hpyridin4olate
6HYDROXY5((2HYDROXY5(3METHYLPHENYL)4OXO6SULFANYLIDENE1HPYRIDIN3YL)(4METHOXY3(PIPERIDIN1YLMETHYL)PHENYL)METHYL)3(3METHYLPHENYL)2SULFANYLIDENE1HPYRIDIN4ONE
CC1=CC=CC(=C1)C2C(=C(C(=O)NC2=S)C(C3=CC(=C(C=C3)OC)C(NH+)4CCCCC4)C5=C(C(C(=S)NC5=O)C6=CC(=CC=C6)C)(O))O
COc1ccc(cc1C(NH+)1CCCCC1)C(C1=C(O)C(C(=NC1=O)S)c1cccc(c1)C)C1=C((O))C(C(=NC1=O)S)c1cccc(c1)C
InChI=1SC38H39N3O5S2c121971123(1721)2933(42)31(35(44)3937(29)47)28(25131427(463)26(1925)2041155461641)3234(43)30(38(48)4036(32)45)241281022(2)1824h714171928304243H46151620H213H3(H394447)(H404548)
MFCD04077509
ZINC000150448944
ZINC000150651088

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Available files

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