Vitas-M small molecule compound
4,7,7-trimethyl-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK860474
SMILES CSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)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 C14H18N2OS MW 262.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N2OS/c1-8-9(7-15)13(18-4)16-10-5-14(2,3)6-11(17)12(8)10/h8,16H,5-6H2,1-4H3InChIKey
NGTKTQYHJRSYKO-UHFFFAOYSA-NSynonyms
221217-57-8221217578
477trimethyl2(methylsulfanyl)5oxo145678hexahydroquinoline3carbonitrile
477trimethyl2(methylthio)5oxo145678hexahydroquinoline3carbonitrile
477trimethyl2methylsulfanyl5oxo1468tetrahydroquinoline3carbonitrile
CC1C(=C(NC2=C1C(=O)CC(C2)(C)C)SC)C#N
InChI=1SC14H18N2OSc189(715)13(184)1610514(23)611(17)12(8)10h816H56H214H3
MFCD00435857
ZINC000000753128
ZINC000019595571
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