Vitas-M small molecule compound
(8R)-6-amino-8-(2,3-dichlorophenyl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK754094
SMILES N#CC1=C(N)C([C@@H](C2C1=CCN(C2)C(C)C)c1cccc(c1Cl)Cl)(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 C21H19Cl2N5 MW 412.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2N5/c1-12(2)28-7-6-13-15(8-24)20(27)21(10-25,11-26)18(16(13)9-28)14-4-3-5-17(22)19(14)23/h3-6,12,16,18H,7,9,27H2,1-2H3/t16?,18-/m1/s1InChIKey
VZASTQWZNFOZOM-UHUGOGIASA-NSynonyms
(8R)6amino8(23dichlorophenyl)2(propan2yl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
(8R)6amino8(23dichlorophenyl)2propan2yl1388atetrahydroisoquinoline577tricarbonitrile
(8R8aS)6amino8(23dichlorophenyl)2isopropyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
CC(C)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C(=CC=C3)Cl)Cl
InChI=1SC21H19Cl2N5c112(2)28761315(824)20(27)21(10251126)18(16(13)928)1443517(22)19(14)23h36121618H7927H212H3t16?18m1s1
MFCD13372054
N#CC1=C(N)C((C@@H)((C@H)2C1=CCN(C2)C(C)C)c1cccc(c1Cl)Cl)(C#N)C#N
N#CC1=C(N)C((C@@H)(C2C1=CCN(C2)C(C)C)c1cccc(c1Cl)Cl)(C#N)C#N
ZINC000000705038
ZINC000004457714
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