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5-ethyl-3-{(5-ethyl-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
STK561573
SMILES CCC1C(=NC(=O)C(=C1[O-])C(C1=C(O)C(C(=NC1=O)S)CC)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 C28H35N3O5S2 MW 557.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O5S2/c1-4-17-23(32)21(25(34)29-27(17)37)20(22-24(33)18(5-2)28(38)30-26(22)35)15-9-10-19(36-3)16(13-15)14-31-11-7-6-8-12-31/h9-10,13,17-18,20,32-33H,4-8,11-12,14H2,1-3H3,(H,29,34,37)(H,30,35,38)
InChIKey
ULPAHMXLWFESAI-UHFFFAOYSA-N
Synonyms

3ethyl5((3ethyl4hydroxy6oxo2sulfanylidene3Hpyridin5yl)(4methoxy3(piperidin1ium1ylmethyl)phenyl)methyl)6oxo2sulfanylidene3Hpyridin4olate
3ETHYL5((5ETHYL2HYDROXY4OXO6SULFANYLIDENE1HPYRIDIN3YL)(4METHOXY3(PIPERIDIN1YLMETHYL)PHENYL)METHYL)6HYDROXY2SULFANYLIDENE1HPYRIDIN4ONE
5ETHYL3((5ETHYL2HYDROXY4OXO6SULFANYLIDENE1HPYRIDIN3YL)(4METHOXY3(PIPERIDIN1IUM1YLMETHYL)PHENYL)METHYL)4OXO6SULFANYLIDENE1HPYRIDIN2OLATE
5ethyl3((5ethyl4hydroxy2oxo6sulfanyl25dihydropyridin3yl)(4methoxy3(piperidinium1ylmethyl)phenyl)methyl)2oxo6sulfanyl25dihydropyridin4olate
CCC1C(=C(C(=O)NC1=S)C(C2=CC(=C(C=C2)OC)C(NH+)3CCCCC3)C4=C(C(C(=S)NC4=O)CC)(O))O
CCC1C(=NC(=O)C(=C1(O))C(C1=C(O)C(C(=NC1=O)S)CC)c1ccc(c(c1)C(NH+)1CCCCC1)OC)S
InChI=1SC28H35N3O5S2c141723(32)21(25(34)2927(17)37)20(2224(33)18(52)28(38)3026(22)35)1591019(363)16(1315)1431117681231h910131718203233H48111214H213H3(H293437)(H303538)
MFCD04080461
ZINC000102505106
ZINC000105792751

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Available files

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