Vitas-M small molecule compound
(8R,8aR)-6-amino-8-(5-bromo-2-fluorophenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK741171
SMILES CCN1CC=C2[C@H](C1)[C@@H](c1cc(Br)ccc1F)C(C(=C2C#N)N)(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 C20H17BrFN5 MW 426.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrFN5/c1-2-27-6-5-13-15(8-23)19(26)20(10-24,11-25)18(16(13)9-27)14-7-12(21)3-4-17(14)22/h3-5,7,16,18H,2,6,9,26H2,1H3/t16-,18+/m0/s1InChIKey
HUJROCXBMFXEHB-FUHWJXTLSA-NSynonyms
488783-63-7(8R8aR)6amino8(5bromo2fluorophenyl)2ethyl1388atetrahydroisoquinoline577tricarbonitrile
(8R8aR)6amino8(5bromo2fluorophenyl)2ethyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
488783637
CCN1CC=C2(C@H)(C1)(C@@H)(c1cc(Br)ccc1F)C(C(=C2C#N)N)(C#N)C#N
CCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)Br)F
InChI=1SC20H17BrFN5c1227651315(823)19(26)20(10241125)18(16(13)927)14712(21)3417(14)22h3571618H26926H21H3t1618+m0s1
ZINC000020458798
ZINC20458798
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