Vitas-M small molecule compound
4-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK827096
SMILES CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)OCc1ccccc1
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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 C24H22N2O2S MW 402.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O2S/c1-29-24-19(14-25)22(23-20(26-24)8-5-9-21(23)27)17-10-12-18(13-11-17)28-15-16-6-3-2-4-7-16/h2-4,6-7,10-13,22,26H,5,8-9,15H2,1H3InChIKey
HWSPTOSZKPYTBP-UHFFFAOYSA-NSynonyms
370855-80-42methylsulfanyl5oxo4(4phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carbonitrile
370855804
4(4(benzyloxy)phenyl)2(methylsulfanyl)5oxo145678hexahydroquinoline3carbonitrile
4(4(benzyloxy)phenyl)2(methylthio)5oxo145678hexahydroquinoline3carbonitrile
CSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N
InChI=1SC24H22N2O2Sc1292419(1425)22(2320(2624)85921(23)27)17101218(131117)2815166324716h246710132226H58915H21H3
MFCD03000034
ZINC000002310605
ZINC000002310606
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