Vitas-M small molecule compound
tert-butyl (8R,8aR)-6-amino-8-(5-bromo-2-fluorophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK029659
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OC(C)(C)C)c1cc(Br)ccc1F)(C#N)C#N
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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 C23H21BrFN5O2 MW 498.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrFN5O2/c1-22(2,3)32-21(31)30-7-6-14-16(9-26)20(29)23(11-27,12-28)19(17(14)10-30)15-8-13(24)4-5-18(15)25/h4-6,8,17,19H,7,10,29H2,1-3H3/t17-,19+/m0/s1InChIKey
GRGGONXQLCPQBY-PKOBYXMFSA-NSynonyms
302901-83-3(8R8aR)tertbutyl6amino8(5bromo2fluorophenyl)577tricyano1788atetrahydroisoquinoline2(3H)carboxylate
302901833
CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)Br)F
InChI=1SC23H21BrFN5O2c122(23)3221(31)30761416(926)20(29)23(11271228)19(17(14)1030)15813(24)4518(15)25h4681719H71029H213H3t1719+m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OC(C)(C)C)c1cc(Br)ccc1F)(C#N)C#N
STK029659
tertbutyl(8R8aR)6amino8(5bromo2fluorophenyl)577tricyano1388atetrahydroisoquinoline2carboxylate
tertbutyl(8R8aR)6amino8(5bromo2fluorophenyl)577tricyano3788atetrahydroisoquinoline2(1H)carboxylate
ZINC000008411308
ZINC08411308
ZINC8411308
Check stock
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