Vitas-M small molecule compound
benzyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4,5-trimethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK011331
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1cc(OC)c(cc1OC)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 C29H27N5O5 MW 525.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O5/c1-36-23-12-25(38-3)24(37-2)11-20(23)26-22-14-34(28(35)39-15-18-7-5-4-6-8-18)10-9-19(22)21(13-30)27(33)29(26,16-31)17-32/h4-9,11-12,22,26H,10,14-15,33H2,1-3H3/t22-,26+/m0/s1InChIKey
XXJUEPVUAWEVSW-BKMJKUGQSA-NSynonyms
303966-80-5(8R8aR)benzyl6amino577tricyano8(245trimethoxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
303966805
benzyl(8R8aR)6amino577tricyano8(245trimethoxyphenyl)1388atetrahydroisoquinoline2carboxylate
benzyl(8R8aR)6amino577tricyano8(245trimethoxyphenyl)3788atetrahydroisoquinoline2(1H)carboxylate
COC1=CC(=C(C=C1C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC4=CC=CC=C4)OC)OC
InChI=1SC29H27N5O5c136231225(383)24(372)1120(23)26221434(28(35)3915187546818)10919(22)21(1330)27(33)29(261631)1732h4911122226H10141533H213H3t2226+m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OCc1ccccc1)c1cc(OC)c(cc1OC)OC)(C#N)C#N
STK011331
ZINC000027113032
ZINC27113032
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.