Vitas-M small molecule compound
2-[(2-chlorobenzyl)sulfanyl]-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK542815
SMILES N#CC1=C(SCc2ccccc2Cl)NC2=C(C1c1ccc(cc1)C(C)C)C(=O)CCC2
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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 C26H25ClN2OS MW 449.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2OS/c1-16(2)17-10-12-18(13-11-17)24-20(14-28)26(29-22-8-5-9-23(30)25(22)24)31-15-19-6-3-4-7-21(19)27/h3-4,6-7,10-13,16,24,29H,5,8-9,15H2,1-2H3InChIKey
YRLPGUBALAMOMH-UHFFFAOYSA-NSynonyms
497243-99-92((2chlorobenzyl)sulfanyl)5oxo4(4(propan2yl)phenyl)145678hexahydroquinoline3carbonitrile
2((2chlorobenzyl)thio)4(4isopropylphenyl)5oxo145678hexahydroquinoline3carbonitrile
2((2chlorophenyl)methylsulfanyl)5oxo4(4propan2ylphenyl)4678tetrahydro1Hquinoline3carbonitrile
497243999
CC(C)C1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=CC=C4Cl)C#N
InChI=1SC26H25ClN2OSc116(2)17101218(131117)2420(1428)26(292285923(30)25(22)24)311519634721(19)27h34671013162429H58915H212H3
MFCD03300293
ZINC000002341284
ZINC000002341287
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