Vitas-M small molecule compound
tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(pyridin-3-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK700388
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OC(C)(C)C)c1cccnc1)(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 C22H22N6O2 MW 402.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O2/c1-21(2,3)30-20(29)28-8-6-15-16(9-23)19(26)22(12-24,13-25)18(17(15)11-28)14-5-4-7-27-10-14/h4-7,10,17-18H,8,11,26H2,1-3H3/t17-,18+/m0/s1InChIKey
RQEJNDVQCMTJEN-ZWKOTPCHSA-NSynonyms
302333-71-7(8S8aR)tertbutyl6amino577tricyano8(pyridin3yl)1788atetrahydroisoquinoline2(3H)carboxylate
302333717
CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CN=CC=C3
InChI=1SC22H22N6O2c121(23)3020(29)28861516(923)19(26)22(12241325)18(17(15)1128)14547271014h47101718H81126H213H3t1718+m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OC(C)(C)C)c1cccnc1)(C#N)C#N
tertbutyl(8S8aR)6amino577tricyano8(pyridin3yl)3788atetrahydroisoquinoline2(1H)carboxylate
tertbutyl(8S8aR)6amino577tricyano8pyridin3yl1388atetrahydroisoquinoline2carboxylate
ZINC000004083183
ZINC04083183
ZINC4083183
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