Vitas-M small molecule compound
4-(4-chlorophenyl)-2-(ethylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL115872
SMILES CCSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(cc1)Cl
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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 C18H17ClN2OS MW 344.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN2OS/c1-2-23-18-13(10-20)16(11-6-8-12(19)9-7-11)17-14(21-18)4-3-5-15(17)22/h6-9,16,21H,2-5H2,1H3InChIKey
LDSNBMFABAORFZ-UHFFFAOYSA-NSynonyms
4(4chlorophenyl)2(ethylsulfanyl)5oxo145678hexahydroquinoline3carbonitrile
4(4chlorophenyl)2ethylsulfanyl5oxo4678tetrahydro1Hquinoline3carbonitrile
CCSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)Cl)C#N
InChI=1SC18H17ClN2OSc12231813(1020)16(116812(19)9711)1714(2118)43515(17)22h691621H25H21H3
MFCD02225531
ZINC000097889153
ZINC000097889154
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