Vitas-M small molecule compound
4-(2-bromophenyl)-3-cyano-6-hydroxy-6-phenyl-5-(pyridinium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate
Catalog ID
STK667984
SMILES N#CC1=C([S-])NC(C(C1c1ccccc1Br)[n+]1ccccc1)(O)c1ccccc1
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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 C23H18BrN3OS MW 464.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrN3OS/c24-19-12-6-5-11-17(19)20-18(15-25)22(29)26-23(28,16-9-3-1-4-10-16)21(20)27-13-7-2-8-14-27/h1-14,20-21,26,28HInChIKey
OMHKFLFTFPMOEU-UHFFFAOYSA-NSynonyms
4(2bromophenyl)3cyano6hydroxy6phenyl5(pyridinium1yl)1456tetrahydropyridine2thiolate
4(2BROMOPHENYL)5CYANO2HYDROXY2PHENYL3PYRIDIN1IUM1YL34DIHYDRO1HPYRIDINE6THIOLATE
C1=CC=C(C=C1)C2(C(C(C(=C(N2)(S))C#N)C3=CC=CC=C3Br)(N+)4=CC=CC=C4)O
InChI=1SC23H18BrN3OSc241912651117(19)2018(1525)22(29)2623(281693141016)21(20)27137281427h11420212628H
MFCD00741492
N#CC1=C((S))NC(C(C1c1ccccc1Br)(n+)1ccccc1)(O)c1ccccc1
ZINC000019805094
ZINC000239378248
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