Vitas-M small molecule compound
tert-butyl (8S,8aR)-6-amino-8-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK053784
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OC(C)(C)C)c1ccc(c(c1)OC)OCC(=O)N)(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 C26H28N6O5 MW 504.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N6O5/c1-25(2,3)37-24(34)32-8-7-16-17(10-27)23(31)26(13-28,14-29)22(18(16)11-32)15-5-6-19(20(9-15)35-4)36-12-21(30)33/h5-7,9,18,22H,8,11-12,31H2,1-4H3,(H2,30,33)/t18-,22+/m0/s1InChIKey
FVBRJBMLOWXYIM-PGRDOPGGSA-NSynonyms
500218-95-1(8S8aR)tertbutyl6amino8(4(2amino2oxoethoxy)3methoxyphenyl)577tricyano1788atetrahydroisoquinoline2(3H)carboxylate
500218951
CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3)OCC(=O)N)OC
InChI=1SC26H28N6O5c125(23)3724(34)32871617(1027)23(31)26(13281429)22(18(16)1132)155619(20(915)354)361221(30)33h5791822H8111231H214H3(H23033)t1822+m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OC(C)(C)C)c1ccc(c(c1)OC)OCC(=O)N)(C#N)C#N
STK053784
tertbutyl(8S8aR)6amino8(4(2amino2oxoethoxy)3methoxyphenyl)577tricyano1388atetrahydroisoquinoline2carboxylate
tertbutyl(8S8aR)6amino8(4(2amino2oxoethoxy)3methoxyphenyl)577tricyano3788atetrahydroisoquinoline2(1H)carboxylate
ZINC000008951342
ZINC08951342
ZINC8951342
Check stock
See real-time availability and sample size for STK053784 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.