Vitas-M small molecule compound
(4S,5R,6R)-4-(4-bromophenyl)-3-cyano-6-hydroxy-6-phenyl-5-(quinolinium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate
Catalog ID
STK667978
SMILES N#CC1=C([S-])N[C@@]([C@@H]([C@H]1c1ccc(cc1)Br)[n+]1cccc2c1cccc2)(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 C27H20BrN3OS MW 514.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20BrN3OS/c28-21-14-12-19(13-15-21)24-22(17-29)26(33)30-27(32,20-9-2-1-3-10-20)25(24)31-16-6-8-18-7-4-5-11-23(18)31/h1-16,24-25,30,32H/t24-,25+,27+/m0/s1InChIKey
UFTOXBOVKHWELB-ZWEKWIFMSA-NSynonyms
(2R3R4S)4(4BROMOPHENYL)5CYANO2HYDROXY2PHENYL3QUINOLIN1IUM1YL34DIHYDRO1HPYRIDINE6THIOLATE
(4S5R6R)4(4bromophenyl)3cyano6hydroxy6phenyl5(quinolinium1yl)1456tetrahydropyridine2thiolate
C1=CC=C(C=C1)C2(C(C(C(=C(N2)(S))C#N)C3=CC=C(C=C3)Br)(N+)4=CC=CC5=CC=CC=C54)O
InChI=1SC27H20BrN3OSc2821141219(131521)2422(1729)26(33)3027(322092131020)25(24)311668187451123(18)31h11624253032Ht2425+27+m0s1
MFCD18246814
N#CC1=C((S))N(C@@)((C@@H)((C@H)1c1ccc(cc1)Br)(n+)1cccc2c1cccc2)(O)c1ccccc1
ZINC000019805032
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