Vitas-M small molecule compound
(8aR)-6-amino-8-(3,4-difluorophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK053672
SMILES N#CC1=C(N)C(C([C@@H]2C1=CCN(C2)C)c1ccc(c(c1)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 C19H15F2N5 MW 351.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15F2N5/c1-26-5-4-12-13(7-22)18(25)19(9-23,10-24)17(14(12)8-26)11-2-3-15(20)16(21)6-11/h2-4,6,14,17H,5,8,25H2,1H3/t14-,17?/m0/s1InChIKey
DWMQLBXWVGXDIB-MBIQTGHCSA-NSynonyms
(8aR)6amino8(34difluorophenyl)2methyl1388atetrahydroisoquinoline577tricarbonitrile
(8aR)6amino8(34difluorophenyl)2methyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3)F)F
InChI=1SC19H15F2N5c126541213(722)18(25)19(9231024)17(14(12)826)112315(20)16(21)611h2461417H5825H21H3t1417?m0s1
N#CC1=C(N)C(C((C@@H)2C1=CCN(C2)C)c1ccc(c(c1)F)F)(C#N)C#N
STK053672
ZINC000000680225
ZINC000000680227
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