Vitas-M small molecule compound
2-{[4-(2-chlorophenyl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Catalog ID
STK725923
SMILES N#CC1=C(SCC(=O)N)NC2=C(C1c1ccccc1Cl)C(=O)CCC2
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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 C18H16ClN3O2S MW 373.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3O2S/c19-12-5-2-1-4-10(12)16-11(8-20)18(25-9-15(21)24)22-13-6-3-7-14(23)17(13)16/h1-2,4-5,16,22H,3,6-7,9H2,(H2,21,24)InChIKey
CMHGPHDDHSLWFX-UHFFFAOYSA-NSynonyms
360563-07-12((4(2chlorophenyl)3cyano5oxo145678hexahydroquinolin2yl)sulfanyl)acetamide
2((4(2chlorophenyl)3cyano5oxo145678hexahydroquinolin2yl)thio)acetamide
2((4(2chlorophenyl)3cyano5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)acetamide
360563071
C1CC2=C(C(C(=C(N2)SCC(=O)N)C#N)C3=CC=CC=C3Cl)C(=O)C1
InChI=1SC18H16ClN3O2Sc1912521410(12)1611(820)18(25915(21)24)221363714(23)17(13)16h12451622H3679H2(H22124)
MFCD02225527
ZINC000001087726
ZINC000001087727
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