Vitas-M small molecule compound

(8R,8aS)-6-amino-8-phenyl-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile

Catalog ID
STK748650
SMILES N#CC1=C(N)C([C@H]([C@H]2C1=CCN(C2)C(C)C)c1ccccc1)(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 C21H21N5 MW 343.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5/c1-14(2)26-9-8-16-17(10-22)20(25)21(12-23,13-24)19(18(16)11-26)15-6-4-3-5-7-15/h3-8,14,18-19H,9,11,25H2,1-2H3/t18-,19+/m1/s1
InChIKey
FPTLOLQFVKCXGF-MOPGFXCFSA-N
Synonyms

(8R8aS)6amino8phenyl2(propan2yl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
(8R8aS)6amino8phenyl2propan2yl1388atetrahydroisoquinoline577tricarbonitrile
6amino2isopropyl8phenyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
CC(C)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3
InChI=1SC21H21N5c114(2)26981617(1022)20(25)21(12231324)19(18(16)1126)156435715h38141819H91125H212H3t1819+m1s1
MFCD13372018
N#CC1=C(N)C((C@H)((C@H)2C1=CCN(C2)C(C)C)c1ccccc1)(C#N)C#N
N#CC1=C(N)C(C(C2C1=CCN(C2)C(C)C)c1ccccc1)(C#N)C#N
ZINC000004102688
ZINC04102688
ZINC4102688

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Available files

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