Vitas-M small molecule compound
4-[(8S,8aR)-6-amino-5,7,7-tricyano-2-methyl-1,2,3,7,8,8a-hexahydroisoquinolin-8-yl]phenyl acetate
Catalog ID
STK667991
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C)c1ccc(cc1)OC(=O)C)(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 C21H19N5O2 MW 373.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O2/c1-13(27)28-15-5-3-14(4-6-15)19-18-10-26(2)8-7-16(18)17(9-22)20(25)21(19,11-23)12-24/h3-7,18-19H,8,10,25H2,1-2H3/t18-,19+/m0/s1InChIKey
SYOSJLJGNJHYSZ-RBUKOAKNSA-NSynonyms
(4((8S8aR)6amino577tricyano2methyl1388atetrahydroisoquinolin8yl)phenyl)acetate
4((8S8aR)6amino577tricyano2methyl123788ahexahydroisoquinolin8yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C
InChI=1SC21H19N5O2c113(27)28155314(4615)19181026(2)8716(18)17(922)20(25)21(191123)1224h371819H81025H212H3t1819+m0s1
MFCD01244609
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C)c1ccc(cc1)OC(=O)C)(C#N)C#N
ZINC000019857301
ZINC19857301
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