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6,6'-(butane-1,4-diyldisulfanediyl)bis[4-(4-butoxyphenyl)-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide]

Catalog ID
STK527226
SMILES CCCCOc1ccc(cc1)c1c(C#N)c(SCCCCSc2nc(C)c(c(c2C#N)c2ccc(cc2)OCCCC)C(=O)Nc2ccccc2)nc(c1C(=O)Nc1ccccc1)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 C52H52N6O4S2 MW 889.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C52H52N6O4S2/c1-5-7-29-61-41-25-21-37(22-26-41)47-43(33-53)51(55-35(3)45(47)49(59)57-39-17-11-9-12-18-39)63-31-15-16-32-64-52-44(34-54)48(38-23-27-42(28-24-38)62-30-8-6-2)46(36(4)56-52)50(60)58-40-19-13-10-14-20-40/h9-14,17-28H,5-8,15-16,29-32H2,
InChIKey
KMQVBOPSDNQOGF-UHFFFAOYSA-N
Synonyms

4(4BUTOXYPHENYL)6(4(4(4BUTOXYPHENYL)3CYANO6METHYL5(PHENYLCARBAMOYL)PYRIDIN2YL)SULFANYLBUTYLSULFANYL)5CYANO2METHYLNPHENYLPYRIDINE3CARBOXAMIDE
66(butane14diylbis(sulfanediyl))bis(4(4butoxyphenyl)5cyano2methylNphenylnicotinamide)
66(butane14diyldisulfanediyl)bis(4(4butoxyphenyl)5cyano2methylNphenylpyridine3carboxamide)
CCCCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C(=O)NC3=CC=CC=C3)C)SCCCCSC4=NC(=C(C(=C4C#N)C5=CC=C(C=C5)OCCCC)C(=O)NC6=CC=CC=C6)C)C#N
InChI=1SC52H52N6O4S2c157296141252137(222641)4743(3353)51(5535(3)45(47)49(59)573917119121839)6331151632645244(3454)48(38232742(282438)6230862)46(36(4)5652)50(60)5840191310142040h9141728H5815162932H214H3(H5759)(H5860)
MFCD00304326
ZINC000150398707
ZINC150398707

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Available files

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