Vitas-M small molecule compound
tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(4-methoxynaphthalen-1-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK004814
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OC(C)(C)C)c1ccc(c2c1cccc2)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 C28H27N5O3 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O3/c1-27(2,3)36-26(34)33-12-11-18-21(13-29)25(32)28(15-30,16-31)24(22(18)14-33)20-9-10-23(35-4)19-8-6-5-7-17(19)20/h5-11,22,24H,12,14,32H2,1-4H3/t22-,24+/m0/s1InChIKey
HPGUVEYBMOVTFT-LADGPHEKSA-NSynonyms
303967-05-7(8S8aR)tertbutyl6amino577tricyano8(4methoxynaphthalen1yl)1788atetrahydroisoquinoline2(3H)carboxylate
303967057
CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C4=CC=CC=C34)OC
InChI=1SC28H27N5O3c127(23)3626(34)3312111821(1329)25(32)28(15301631)24(22(18)1433)2091023(354)19865717(19)20h5112224H121432H214H3t2224+m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OC(C)(C)C)c1ccc(c2c1cccc2)OC)(C#N)C#N
STK004814
tertbutyl(8S8aR)6amino577tricyano8(4methoxynaphthalen1yl)1388atetrahydroisoquinoline2carboxylate
tertbutyl(8S8aR)6amino577tricyano8(4methoxynaphthalen1yl)3788atetrahydroisoquinoline2(1H)carboxylate
ZINC000008916384
ZINC08916384
ZINC8916384
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.