Vitas-M small molecule compound
morpholin-4-ium 4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-2-thiolate
Catalog ID
STL360940
SMILES [NH2+]1CCOCC1.N#CC1=C([S-])NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(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 C22H26ClN3O2S MW 431.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN2OS.C4H9NO/c1-18(2)7-13-16(14(22)8-18)15(12(9-20)17(23)21-13)10-3-5-11(19)6-4-10;1-3-6-4-2-5-1/h3-6,15,21,23H,7-8H2,1-2H3;5H,1-4H2InChIKey
CFSDTKVYXKCHQK-UHFFFAOYSA-NSynonyms
304013-42-1(NH2+)1CCOCC1N#CC1=C((S))NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(C)C
304013421
C1COCC(NH2+)1N#CC1=C((S))NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(C)C
MFCD18082561
morpholin4ium4(4chlorophenyl)3cyano77dimethyl5oxo145678hexahydroquinoline2thiolate
ZINC000003682877
ZINC000003682878
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