Vitas-M small molecule compound
(8S,8aR)-6-amino-8-(4-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK746509
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C)c1ccc(cc1)OC)(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 C20H19N5O MW 345.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O/c1-25-8-7-15-16(9-21)19(24)20(11-22,12-23)18(17(15)10-25)13-3-5-14(26-2)6-4-13/h3-7,17-18H,8,10,24H2,1-2H3/t17-,18+/m0/s1InChIKey
WPEOSHQNWZGDCB-ZWKOTPCHSA-NSynonyms
(8S8aR)6amino8(4methoxyphenyl)2methyl1388atetrahydroisoquinoline577tricarbonitrile
(8S8aR)6amino8(4methoxyphenyl)2methyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
6amino8(4methoxyphenyl)2methyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)OC
InChI=1SC20H19N5Oc125871516(921)19(24)20(11221223)18(17(15)1025)133514(262)6413h371718H81024H212H3t1718+m0s1
MFCD01244610
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C)c1ccc(cc1)OC)(C#N)C#N
N#CC1=C(N)C(C(C2C1=CCN(C2)C)c1ccc(cc1)OC)(C#N)C#N
ZINC000004123664
ZINC04123664
ZINC4123664
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