Vitas-M small molecule compound
(8S,8aR)-6-amino-2-methyl-8-[4-(propan-2-yloxy)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK541122
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C)c1ccc(cc1)OC(C)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 C22H23N5O MW 373.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O/c1-14(2)28-16-6-4-15(5-7-16)20-19-11-27(3)9-8-17(19)18(10-23)21(26)22(20,12-24)13-25/h4-8,14,19-20H,9,11,26H2,1-3H3/t19-,20+/m0/s1InChIKey
WMELSCAJBYBOTC-VQTJNVASSA-NSynonyms
459155-66-9(8S8aR)6amino2methyl8(4(propan2yloxy)phenyl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
(8S8aR)6amino2methyl8(4propan2yloxyphenyl)1388atetrahydroisoquinoline577tricarbonitrile
(8S8aR)6amino8(4isopropoxyphenyl)2methyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
459155669
CC(C)OC1=CC=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C
InChI=1SC22H23N5Oc114(2)28166415(5716)20191127(3)9817(19)18(1023)21(26)22(201224)1325h48141920H91126H213H3t1920+m0s1
MFCD11983509
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C)c1ccc(cc1)OC(C)C)(C#N)C#N
ZINC000001258093
ZINC01258093
ZINC1258093
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