Vitas-M small molecule compound
2-[(cyanomethyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(propan-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK838760
SMILES N#CCSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)C(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 C17H21N3OS MW 315.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3OS/c1-10(2)14-11(9-19)16(22-6-5-18)20-12-7-17(3,4)8-13(21)15(12)14/h10,14,20H,6-8H2,1-4H3InChIKey
ABQNFVZFWGJHEB-UHFFFAOYSA-NSynonyms
201424-77-32((cyanomethyl)sulfanyl)77dimethyl5oxo4(propan2yl)145678hexahydroquinoline3carbonitrile
2((cyanomethyl)thio)4isopropyl77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2(cyanomethylsulfanyl)77dimethyl5oxo4propan2yl1468tetrahydroquinoline3carbonitrile
201424773
CC(C)C1C(=C(NC2=C1C(=O)CC(C2)(C)C)SCC#N)C#N
InChI=1SC17H21N3OSc110(2)1411(919)16(226518)2012717(34)813(21)15(12)14h101420H68H214H3
MFCD00405244
ZINC000002275325
ZINC000002275326
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