Vitas-M small molecule compound
(8S,8aR)-6-amino-2-benzyl-8-[2-(trifluoromethyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK746641
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)Cc1ccccc1)c1ccccc1C(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 C26H20F3N5 MW 459.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20F3N5/c27-26(28,29)22-9-5-4-8-19(22)23-21-14-34(13-17-6-2-1-3-7-17)11-10-18(21)20(12-30)24(33)25(23,15-31)16-32/h1-10,21,23H,11,13-14,33H2/t21-,23+/m0/s1InChIKey
YNUFZUOVLAFMFA-JTHBVZDNSA-NSynonyms
(8S8aR)6amino2benzyl8(2(trifluoromethyl)phenyl)1388atetrahydroisoquinoline577tricarbonitrile
(8S8aR)6amino2benzyl8(2(trifluoromethyl)phenyl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
C1C=C2C(CN1CC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC=CC=C4C(F)(F)F
InChI=1SC26H20F3N5c2726(2829)22954819(22)23211434(13176213717)111018(21)20(1230)24(33)25(231531)1632h1102123H11131433H2t2123+m0s1
MFCD01244658
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)Cc1ccccc1)c1ccccc1C(F)(F)F)(C#N)C#N
ZINC000019805131
ZINC19805131
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