Vitas-M small molecule compound
(8R,8aR)-6-amino-2-benzyl-8-(5-bromo-2-fluorophenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK700611
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)Cc1ccccc1)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 C25H19BrFN5 MW 488.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19BrFN5/c26-17-6-7-22(27)19(10-17)23-21-13-32(12-16-4-2-1-3-5-16)9-8-18(21)20(11-28)24(31)25(23,14-29)15-30/h1-8,10,21,23H,9,12-13,31H2/t21-,23+/m0/s1InChIKey
WIDKRPLOYROFNZ-JTHBVZDNSA-NSynonyms
351449-32-6(8R8aR)6amino2benzyl8(5bromo2fluorophenyl)1388atetrahydroisoquinoline577tricarbonitrile
(8R8aR)6amino2benzyl8(5bromo2fluorophenyl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
351449326
C1C=C2C(CN1CC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=C(C=CC(=C4)Br)F
InChI=1SC25H19BrFN5c26176722(27)19(1017)23211332(12164213516)9818(21)20(1128)24(31)25(231429)1530h18102123H9121331H2t2123+m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)Cc1ccccc1)c1cc(Br)ccc1F)(C#N)C#N
ZINC000008411315
ZINC08411315
ZINC8411315
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