Vitas-M small molecule compound
(4S,5R,6R)-3-cyano-4-(2-fluorophenyl)-6-hydroxy-6-phenyl-5-(pyridinium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate
Catalog ID
STK675137
SMILES N#CC1=C([S-])N[C@@]([C@@H]([C@H]1c1ccccc1F)[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 C23H18FN3OS MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18FN3OS/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/h1-14,20-21,26,28H/t20-,21+,23+/m0/s1InChIKey
UVPKDPIIAVZOOQ-QZNHQXDQSA-NSynonyms
(2R3R4S)5CYANO4(2FLUOROPHENYL)2HYDROXY2PHENYL3PYRIDIN1IUM1YL34DIHYDRO1HPYRIDINE6THIOLATE
(4S5R6R)3cyano4(2fluorophenyl)6hydroxy6phenyl5(pyridinium1yl)1456tetrahydropyridine2thiolate
C1=CC=C(C=C1)C2(C(C(C(=C(N2)(S))C#N)C3=CC=CC=C3F)(N+)4=CC=CC=C4)O
InChI=1SC23H18FN3OSc241912651117(19)2018(1525)22(29)2623(281693141016)21(20)27137281427h11420212628Ht2021+23+m0s1
MFCD18246859
N#CC1=C((S))N(C@@)((C@@H)((C@H)1c1ccccc1F)(n+)1ccccc1)(O)c1ccccc1
ZINC000019830780
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