Vitas-M small molecule compound
6-amino-2-ethyl-8-[4-(trifluoromethyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STL323042
SMILES CCN1CC=C2C(C1)C(c1ccc(cc1)C(F)(F)F)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 C21H18F3N5 MW 397.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3N5/c1-2-29-8-7-15-16(9-25)19(28)20(11-26,12-27)18(17(15)10-29)13-3-5-14(6-4-13)21(22,23)24/h3-7,17-18H,2,8,10,28H2,1H3InChIKey
QWUAEBAKFDUVOW-UHFFFAOYSA-NSynonyms
(8S8aR)6amino2ethyl8(4(trifluoromethyl)phenyl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
6amino2ethyl8(4(trifluoromethyl)phenyl)1388atetrahydroisoquinoline577tricarbonitrile
6amino2ethyl8(4(trifluoromethyl)phenyl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
CCN1CC=C2(C@H)(C1)(C@@H)(c1ccc(cc1)C(F)(F)F)C(C(=C2C#N)N)(C#N)C#N
CCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)C(F)(F)F
InChI=1SC21H18F3N5c1229871516(925)19(28)20(11261227)18(17(15)1029)133514(6413)21(2223)24h371718H281028H21H3
MFCD01416848
ZINC000001800499
ZINC000019816623
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