Vitas-M small molecule compound
4-methylmorpholin-4-ium 4-benzyl-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinoline-2-thiolate
Catalog ID
STK006610
SMILES C[NH+]1CCOCC1.N#CC1=C([S-])NC2=C(C1Cc1ccccc1)C(=O)CCC2
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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 C22H27N3O2S MW 397.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2OS.C5H11NO/c18-10-13-12(9-11-5-2-1-3-6-11)16-14(19-17(13)21)7-4-8-15(16)20;1-6-2-4-7-5-3-6/h1-3,5-6,12,19,21H,4,7-9H2;2-5H2,1H3InChIKey
ZROGNKRKLBQSEY-UHFFFAOYSA-NSynonyms
303088-92-8303088928
4methylmorpholin4ium4benzyl3cyano5oxo145678hexahydroquinoline2thiolate
C(NH+)1CCOCC1N#CC1=C((S))NC2=C(C1Cc1ccccc1)C(=O)CCC2
MFCD00980617
STK006610
ZINC000001203510
ZINC000019640828
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