Vitas-M small molecule compound
2-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)sulfanyl]acetamide
Catalog ID
STK527310
SMILES CCC1C(=C(SCC(=O)N)NC2=C1C(=O)CC(C2)(C)C)C#N
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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 C16H21N3O2S MW 319.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O2S/c1-4-9-10(7-17)15(22-8-13(18)21)19-11-5-16(2,3)6-12(20)14(9)11/h9,19H,4-6,8H2,1-3H3,(H2,18,21)InChIKey
XRAJNNDGONCGEO-UHFFFAOYSA-NSynonyms
201424-84-22((3cyano4ethyl77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)acetamide
2((3cyano4ethyl77dimethyl5oxo145678hexahydroquinolin2yl)thio)acetamide
2((3cyano4ethyl77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)acetamide
201424842
CCC1C(=C(NC2=C1C(=O)CC(C2)(C)C)SCC(=O)N)C#N
InChI=1SC16H21N3O2Sc14910(717)15(22813(18)21)1911516(23)612(20)14(9)11h919H468H213H3(H21821)
MFCD00405277
ZINC000000501008
ZINC000000501009
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