Vitas-M small molecule compound
(8R,8aR)-6-amino-8-(2-chlorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK746650
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(C)C)c1ccccc1Cl)(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 C21H20ClN5 MW 377.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5/c1-13(2)27-8-7-14-16(9-23)20(26)21(11-24,12-25)19(17(14)10-27)15-5-3-4-6-18(15)22/h3-7,13,17,19H,8,10,26H2,1-2H3/t17-,19+/m0/s1InChIKey
ILIQYWQMSHRTHR-PKOBYXMFSA-NSynonyms
(8R8aR)6amino8(2chlorophenyl)2(propan2yl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
(8R8aR)6amino8(2chlorophenyl)2propan2yl1388atetrahydroisoquinoline577tricarbonitrile
6amino8(2chlorophenyl)2isopropyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
CC(C)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3Cl
InChI=1SC21H20ClN5c113(2)27871416(923)20(26)21(11241225)19(17(14)1027)15534618(15)22h37131719H81026H212H3t1719+m0s1
MFCD01244661
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(C)C)c1ccccc1Cl)(C#N)C#N
N#CC1=C(N)C(C(C2C1=CCN(C2)C(C)C)c1ccccc1Cl)(C#N)C#N
ZINC000019880165
ZINC19880165
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