Vitas-M small molecule compound
(8S,8aR)-6-amino-2-propyl-8-[3-(trifluoromethyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK957094
SMILES CCCN1CC=C2[C@H](C1)[C@@H](c1cccc(c1)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 C22H20F3N5 MW 411.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F3N5/c1-2-7-30-8-6-16-17(10-26)20(29)21(12-27,13-28)19(18(16)11-30)14-4-3-5-15(9-14)22(23,24)25/h3-6,9,18-19H,2,7-8,11,29H2,1H3/t18-,19+/m0/s1InChIKey
RAKBOGJTTWUGNQ-RBUKOAKNSA-NSynonyms
(8S8aR)6amino2propyl8(3(trifluoromethyl)phenyl)1388atetrahydroisoquinoline577tricarbonitrile
(8S8aR)6amino2propyl8(3(trifluoromethyl)phenyl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
CCCN1CC=C2(C@H)(C1)(C@@H)(c1cccc(c1)C(F)(F)F)C(C(=C2C#N)N)(C#N)C#N
CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)C(F)(F)F
InChI=1SC22H20F3N5c12730861617(1026)20(29)21(12271328)19(18(16)1130)1443515(914)22(2324)25h3691819H2781129H21H3t1819+m0s1
ZINC000019832301
ZINC19832301
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