Vitas-M small molecule compound
6-(4-benzylpiperidin-1-yl)-1,4-dimethyl-2-oxo-5-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile
Catalog ID
STL054063
SMILES N#Cc1c(C)c(/C=C/2\SC(=S)N(C2=O)CC2CCCO2)c(n(c1=O)C)N1CCC(CC1)Cc1ccccc1
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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 C29H32N4O3S2 MW 548.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O3S2/c1-19-23(16-25-28(35)33(29(37)38-25)18-22-9-6-14-36-22)26(31(2)27(34)24(19)17-30)32-12-10-21(11-13-32)15-20-7-4-3-5-8-20/h3-5,7-8,16,21-22H,6,9-15,18H2,1-2H3/b25-16-InChIKey
MOBRNVQWHVYPKH-XYGWBWBKSA-NSynonyms
619268-80-3(Z)6(4benzylpiperidin1yl)14dimethyl2oxo5((4oxo3((tetrahydrofuran2yl)methyl)2thioxothiazolidin5ylidene)methyl)12dihydropyridine3carbonitrile
6(4BENZYLPIPERIDIN1YL)14DIMETHYL2OXO5((Z)(4OXO3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PYRIDINE3CARBONITRILE
6(4benzylpiperidin1yl)14dimethyl2oxo5((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)12dihydropyridine3carbonitrile
619268803
CC1=C(C(=O)N(C(=C1C=C2C(=O)N(C(=S)S2)CC3CCCO3)N4CCC(CC4)CC5=CC=CC=C5)C)C#N
InChI=1SC29H32N4O3S2c11923(162528(35)33(29(37)3825)182296143622)26(31(2)27(34)24(19)1730)32121021(111332)15207435820h3578162122H691518H212H3b2516
MFCD03693547
ZINC000100902210
ZINC000100902212
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