Vitas-M small molecule compound
6-amino-8-(4-fluorophenyl)-2,3,8a-trimethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STL322455
SMILES N#CC1=C(N)C(C(C2(C1=CC(C)N(C2)C)C)c1ccc(cc1)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 C21H20FN5 MW 361.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN5/c1-13-8-17-16(9-23)19(26)21(10-24,11-25)18(20(17,2)12-27(13)3)14-4-6-15(22)7-5-14/h4-8,13,18H,12,26H2,1-3H3InChIKey
MNEKLXLKKDRVIN-UHFFFAOYSA-NSynonyms
(3R8R8aS)6amino8(4fluorophenyl)238atrimethyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
6amino8(4fluorophenyl)238atrimethyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
6AMINO8(4FLUOROPHENYL)238ATRIMETHYL38DIHYDRO1HISOQUINOLINE577TRICARBONITRILE
CC1C=C2C(=C(C(C(C2(CN1C)C)C3=CC=C(C=C3)F)(C#N)C#N)N)C#N
InChI=1SC21H20FN5c11381716(923)19(26)21(10241125)18(20(172)1227(13)3)144615(22)7514h481318H1226H213H3
MFCD01465950
N#CC1=C(N)C((C@@H)((C@)2(C1=C(C@@H)(C)N(C2)C)C)c1ccc(cc1)F)(C#N)C#N
ZINC000019816147
ZINC000035212995
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