Vitas-M small molecule compound
2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK026379
SMILES N#CC1=C(SCc2ccccc2Cl)NC2=C(C1c1cccs1)C(=O)CC(C2)(C)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 C23H21ClN2OS2 MW 441.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2OS2/c1-23(2)10-17-21(18(27)11-23)20(19-8-5-9-28-19)15(12-25)22(26-17)29-13-14-6-3-4-7-16(14)24/h3-9,20,26H,10-11,13H2,1-2H3InChIKey
ITDDEOMGCTXKIR-UHFFFAOYSA-NSynonyms
612054-39-42((2chlorobenzyl)sulfanyl)77dimethyl5oxo4(thiophen2yl)145678hexahydroquinoline3carbonitrile
2((2chlorobenzyl)thio)77dimethyl5oxo4(thiophen2yl)145678hexahydroquinoline3carbonitrile
2((2chlorophenyl)methylsulfanyl)77dimethyl5oxo4thiophen2yl1468tetrahydroquinoline3carbonitrile
612054394
CC1(CC2=C(C(C(=C(N2)SCC3=CC=CC=C3Cl)C#N)C4=CC=CS4)C(=O)C1)C
InChI=1SC23H21ClN2OS2c123(2)101721(18(27)1123)20(198592819)15(1225)22(2617)291314634716(14)24h392026H101113H212H3
MFCD03672805
N#CC1=C(SCc2ccccc2Cl)NC2=C(C1c1cccs1)C(=O)CC(C2)(C)C
STK026379
ZINC000009046813
ZINC000009046814
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