Vitas-M small molecule compound
(4S,5R,6R)-4-(4-chlorophenyl)-3-cyano-6-hydroxy-6-methyl-5-(pyridinium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate
Catalog ID
STK527985
SMILES N#CC1=C([S-])N[C@]([C@@H]([C@H]1c1ccc(cc1)Cl)[n+]1ccccc1)(C)O
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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 C18H16ClN3OS MW 357.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3OS/c1-18(23)16(22-9-3-2-4-10-22)15(14(11-20)17(24)21-18)12-5-7-13(19)8-6-12/h2-10,15-16,21,23H,1H3/t15-,16+,18+/m0/s1InChIKey
UUHKKRHAOIPVPD-LZLYRXPVSA-NSynonyms
303740-69-4(2R3R4S)4(4chlorophenyl)5cyano2hydroxy2methyl1234tetrahydro(13bipyridin)1ium6thiolate
(2R3R4S)4(4chlorophenyl)5cyano2hydroxy2methyl3pyridin1ium1yl34dihydro1Hpyridine6thiolate
(4S5R6R)4(4chlorophenyl)3cyano6hydroxy6methyl5(pyridinium1yl)1456tetrahydropyridine2thiolate
303740694
CC1(C(C(C(=C(N1)(S))C#N)C2=CC=C(C=C2)Cl)(N+)3=CC=CC=C3)O
InChI=1SC18H16ClN3OSc118(23)16(2293241022)15(14(1120)17(24)2118)125713(19)8612h21015162123H1H3t1516+18+m0s1
MFCD18241576
N#CC1=C((S))N(C@)((C@@H)((C@H)1c1ccc(cc1)Cl)(n+)1ccccc1)(C)O
ZINC000020459105
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