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

Catalog ID
STL038427
SMILES CCOc1ccc(cc1)C1C(=NC(=O)C(=C1[O-])C(C1=C(O)C(C(=NC1=O)S)c1ccc(cc1)OCC)c1ccc(c(c1)C[NH+]1CCCCC1)OC)S

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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 C40H43N3O7S2 MW 741.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H43N3O7S2/c1-4-49-27-14-9-23(10-15-27)31-35(44)33(37(46)41-39(31)51)30(25-13-18-29(48-3)26(21-25)22-43-19-7-6-8-20-43)34-36(45)32(40(52)42-38(34)47)24-11-16-28(17-12-24)50-5-2/h9-18,21,30-32,44-45H,4-8,19-20,22H2,1-3H3,(H,41,46,51)(H,42,47,52)
InChIKey
ZGNZALCUWSMZMO-UHFFFAOYSA-N
Synonyms

3(4ethoxyphenyl)5((3(4ethoxyphenyl)4hydroxy6oxo2sulfanylidene3Hpyridin5yl)(4methoxy3(piperidin1ylmethyl)phenyl)methyl)4hydroxy2sulfanylidene3Hpyridin6one
3(4ETHOXYPHENYL)5((5(4ETHOXYPHENYL)2HYDROXY4OXO6SULFANYLIDENE1HPYRIDIN3YL)(4METHOXY3(PIPERIDIN1YLMETHYL)PHENYL)METHYL)6HYDROXY2SULFANYLIDENE1HPYRIDIN4ONE
5(4ETHOXYPHENYL)3((5(4ETHOXYPHENYL)2HYDROXY4OXO6SULFANYLIDENE1HPYRIDIN3YL)(4METHOXY3(PIPERIDIN1IUM1YLMETHYL)PHENYL)METHYL)4OXO6SULFANYLIDENE1HPYRIDIN2OLATE
5(4ethoxyphenyl)3((5(4ethoxyphenyl)4hydroxy2oxo6sulfanyl25dihydropyridin3yl)(4methoxy3(piperidinium1ylmethyl)phenyl)methyl)2oxo6sulfanyl25dihydropyridin4olate
CCOC1=CC=C(C=C1)C2C(=C(C(=O)NC2=S)C(C3=CC(=C(C=C3)OC)CN4CCCCC4)C5=C(C(C(=S)NC5=O)C6=CC=C(C=C6)OCC)O)O
CCOc1ccc(cc1)C1C(=NC(=O)C(=C1(O))C(C1=C(O)C(C(=NC1=O)S)c1ccc(cc1)OCC)c1ccc(c(c1)C(NH+)1CCCCC1)OC)S
InChI=1SC40H43N3O7S2c14492714923(101527)3135(44)33(37(46)4139(31)51)30(25131829(483)26(2125)2243197682043)3436(45)32(40(52)4238(34)47)24111628(171224)5052h9182130324445H48192022H213H3(H414651)(H424752)
MFCD04079502
ZINC000150438658
ZINC000150648315

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Available files

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