Vitas-M small molecule compound

4-(2-chlorophenyl)-2-(ethylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK725928
SMILES CCSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccccc1Cl

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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/c1-2-23-18-12(10-20)16(11-6-3-4-7-13(11)19)17-14(21-18)8-5-9-15(17)22/h3-4,6-7,16,21H,2,5,8-9H2,1H3
InChIKey
OIJDNZGQGHUOIP-UHFFFAOYSA-N
Synonyms

4(2chlorophenyl)2(ethylsulfanyl)5oxo145678hexahydroquinoline3carbonitrile
4(2chlorophenyl)2(ethylthio)5oxo145678hexahydroquinoline3carbonitrile
4(2chlorophenyl)2ethylsulfanyl5oxo4678tetrahydro1Hquinoline3carbonitrile
CCSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3Cl)C#N
InChI=1SC18H17ClN2OSc12231812(1020)16(11634713(11)19)1714(2118)85915(17)22h34671621H2589H21H3
MFCD02110341
ZINC000004667770
ZINC000004667771

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Available files

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