Vitas-M small molecule compound
4-(4-chlorophenyl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL360961
SMILES N#Cc1c(=S)[nH]c2c(c1c1ccc(cc1)Cl)CCCC2
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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 C16H13ClN2S MW 300.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN2S/c17-11-7-5-10(6-8-11)15-12-3-1-2-4-14(12)19-16(20)13(15)9-18/h5-8H,1-4H2,(H,19,20)InChIKey
XEMCDIRBQQZVAN-UHFFFAOYSA-NSynonyms
83236-51-54(4chlorophenyl)2sulfanylidene5678tetrahydro1Hquinoline3carbonitrile
4(4chlorophenyl)2thioxo125678hexahydroquinoline3carbonitrile
83236515
C1CCC2=C(C1)C(=C(C(=S)N2)C#N)C3=CC=C(C=C3)Cl
InChI=1SC16H13ClN2Sc17117510(6811)1512312414(12)1916(20)13(15)918h58H14H2(H1920)
N#Cc1c(=S)(nH)c2c(c1c1ccc(cc1)Cl)CCCC2
ZINC13471781
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