Vitas-M small molecule compound
diethyl 6,6'-(butane-1,4-diyldisulfanediyl)bis(5-cyano-4-cyclohexyl-2-methyl-1,4-dihydropyridine-3-carboxylate)
Catalog ID
STK001582
SMILES CCOC(=O)C1=C(C)NC(=C(C1C1CCCCC1)C#N)SCCCCSC1=C(C#N)C(C(=C(N1)C)C(=O)OCC)C1CCCCC1
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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 C36H50N4O4S2 MW 666.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H50N4O4S2/c1-5-43-35(41)29-23(3)39-33(27(21-37)31(29)25-15-9-7-10-16-25)45-19-13-14-20-46-34-28(22-38)32(26-17-11-8-12-18-26)30(24(4)40-34)36(42)44-6-2/h25-26,31-32,39-40H,5-20H2,1-4H3InChIKey
FLALWCDXSHBDJC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)NC(=C(C1C1CCCCC1)C#N)SCCCCSC1=C(C#N)C(C(=C(N1)C)C(=O)OCC)C1CCCCC1
CCOC(=O)C1=C(NC(=C(C1C2CCCCC2)C#N)SCCCCSC3=C(C(C(=C(N3)C)C(=O)OCC)C4CCCCC4)C#N)C
DIETHYL66(BUTANE14DIYLDISULFANEDIYL)BIS(5CYANO4CYCLOHEXYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE)
ETHYL5CYANO6(4((3CYANO4CYCLOHEXYL5ETHOXYCARBONYL6METHYL14DIHYDROPYRIDIN2YL)SULFANYL)BUTYLSULFANYL)4CYCLOHEXYL2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC36H50N4O4S2c154335(41)2923(3)3933(27(2137)31(29)251597101625)4519131420463428(2238)32(2617118121826)30(24(4)4034)36(42)4462h252631323940H520H214H3
MFCD07354396
STK001582
ZINC000150463067
ZINC000150463075
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.