Vitas-M small molecule compound
2-(ethylsulfanyl)-4-(2-methylpropyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK078461
SMILES CCSC1=C(C#N)C(C2=C(N1)CCCC2=O)CC(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 C16H22N2OS MW 290.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N2OS/c1-4-20-16-12(9-17)11(8-10(2)3)15-13(18-16)6-5-7-14(15)19/h10-11,18H,4-8H2,1-3H3InChIKey
KUSDFDSYILOIIF-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)4(2methylpropyl)5oxo145678hexahydroquinoline3carbonitrile
2ethylsulfanyl4(2methylpropyl)5oxo4678tetrahydro1Hquinoline3carbonitrile
CCSC1=C(C#N)C(C2=C(N1)CCCC2=O)CC(C)C
CCSC1=C(C(C2=C(N1)CCCC2=O)CC(C)C)C#N
InChI=1SC16H22N2OSc14201612(917)11(810(2)3)1513(1816)65714(15)19h101118H48H213H3
MFCD01557751
STK078461
ZINC000005110226
ZINC000005110441
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