Vitas-M small molecule compound
4-(4-bromophenyl)-3-cyano-6-cyclopropyl-6-hydroxy-5-(4-methylpyridinium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate
Catalog ID
STK667983
SMILES N#CC1=C([S-])NC(C(C1c1ccc(cc1)Br)[n+]1ccc(cc1)C)(O)C1CC1
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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 C21H20BrN3OS MW 442.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN3OS/c1-13-8-10-25(11-9-13)19-18(14-2-6-16(22)7-3-14)17(12-23)20(27)24-21(19,26)15-4-5-15/h2-3,6-11,15,18-19,24,26H,4-5H2,1H3InChIKey
ZDYZSORIDLCNKZ-UHFFFAOYSA-NSynonyms
4(4bromophenyl)3cyano6cyclopropyl6hydroxy5(4methylpyridinium1yl)1456tetrahydropyridine2thiolate
4(4BROMOPHENYL)5CYANO2CYCLOPROPYL2HYDROXY3(4METHYLPYRIDIN1IUM1YL)34DIHYDRO1HPYRIDINE6THIOLATE
CC1=CC=(N+)(C=C1)C2C(C(=C(NC2(C3CC3)O)(S))C#N)C4=CC=C(C=C4)Br
InChI=1SC21H20BrN3OSc11381025(11913)1918(142616(22)7314)17(1223)20(27)2421(1926)154515h236111518192426H45H21H3
MFCD00741490
N#CC1=C((S))NC(C(C1c1ccc(cc1)Br)(n+)1ccc(cc1)C)(O)C1CC1
ZINC000019805083
ZINC000034909979
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