Vitas-M small molecule compound
4-methylmorpholin-4-ium 4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridine-2-thiolate
Catalog ID
STK099198
SMILES C[NH+]1CCOCC1.N#CC1=C([S-])NC(=O)CC1c1ccc(cc1)Br
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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 C17H20BrN3O2S MW 410.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9BrN2OS.C5H11NO/c13-8-3-1-7(2-4-8)9-5-11(16)15-12(17)10(9)6-14;1-6-2-4-7-5-3-6/h1-4,9,17H,5H2,(H,15,16);2-5H2,1H3InChIKey
AYBMVFRLELSOFG-UHFFFAOYSA-NSynonyms
197569-83-8197569838
4(4BROMOPHENYL)2OXO6SULFANYL34DIHYDRO1HPYRIDINE5CARBONITRILE4METHYLMORPHOLINE
4methylmorpholin4ium4(4bromophenyl)3cyano6oxo1456tetrahydropyridine2thiolate
C(NH+)1CCOCC1N#CC1=C((S))NC(=O)CC1c1ccc(cc1)Br
CN1CCOCC1C1C(C(=C(NC1=O)S)C#N)C2=CC=C(C=C2)Br
InChI=1SC12H9BrN2OSC5H11NOc138317(248)9511(16)1512(17)10(9)61416247536h14917H5H2(H1516)25H21H3
MFCD00569860
STK099198
ZINC000008973526
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