Vitas-M small molecule compound
benzyl (8S,8aR)-6-amino-5,7,7-tricyano-8-[4-(trifluoromethoxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK545444
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1)OC(F)(F)F)(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 C27H20F3N5O3 MW 519.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20F3N5O3/c28-27(29,30)38-19-8-6-18(7-9-19)23-22-13-35(25(36)37-14-17-4-2-1-3-5-17)11-10-20(22)21(12-31)24(34)26(23,15-32)16-33/h1-10,22-23H,11,13-14,34H2/t22-,23+/m0/s1InChIKey
DWJASUIPYPDUKM-XZOQPEGZSA-NSynonyms
494792-87-9(8S8aR)benzyl6amino577tricyano8(4(trifluoromethoxy)phenyl)1788atetrahydroisoquinoline2(3H)carboxylate
494792879
benzyl(8S8aR)6amino577tricyano8(4(trifluoromethoxy)phenyl)1388atetrahydroisoquinoline2carboxylate
benzyl(8S8aR)6amino577tricyano8(4(trifluoromethoxy)phenyl)3788atetrahydroisoquinoline2(1H)carboxylate
C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC=C(C=C4)OC(F)(F)F
InChI=1SC27H20F3N5O3c2827(2930)38198618(7919)23221335(25(36)3714174213517)111020(22)21(1231)24(34)26(231532)1633h1102223H11131434H2t2223+m0s1
MFCD18242218
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1)OC(F)(F)F)(C#N)C#N
ZINC000008442031
ZINC08442031
ZINC8442031
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.