Vitas-M small molecule compound
7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-2-thioxo-1,2,3,4,5,6,7,8-octahydroquinoline-3-carbonitrile
Catalog ID
STK826243
SMILES N#CC1C(=S)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 C16H16N2OS2 MW 316.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2OS2/c1-16(2)6-10-14(11(19)7-16)13(12-4-3-5-21-12)9(8-17)15(20)18-10/h3-5,9,13H,6-7H2,1-2H3,(H,18,20)InChIKey
PYLSLOAEBQGELL-UHFFFAOYSA-NSynonyms
77dimethyl5oxo2sulfanylidene4thiophen2yl3468tetrahydro1Hquinoline3carbonitrile
77dimethyl5oxo4(thiophen2yl)2thioxo12345678octahydroquinoline3carbonitrile
CC1(CC2=C(C(C(C(=S)N2)C#N)C3=CC=CS3)C(=O)C1)C
InChI=1SC16H16N2OS2c116(2)61014(11(19)716)13(124352112)9(817)15(20)1810h35913H67H212H3(H1820)
MFCD10086120
ZINC000012249955
ZINC000102806811
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