Vitas-M small molecule compound
benzyl (8S,8aR)-6-amino-5,7,7-tricyano-8-[2-(trifluoromethyl)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STL004919
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccccc1C(F)(F)F)(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 C27H20F3N5O2 MW 503.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20F3N5O2/c28-27(29,30)22-9-5-4-8-19(22)23-21-13-35(25(36)37-14-17-6-2-1-3-7-17)11-10-18(21)20(12-31)24(34)26(23,15-32)16-33/h1-10,21,23H,11,13-14,34H2/t21-,23+/m0/s1InChIKey
HCAKMIHIETUIQE-JTHBVZDNSA-NSynonyms
303966-85-0(8S8aR)benzyl6amino577tricyano8(2(trifluoromethyl)phenyl)1788atetrahydroisoquinoline2(3H)carboxylate
303966850
benzyl(8S8aR)6amino577tricyano8(2(trifluoromethyl)phenyl)1388atetrahydroisoquinoline2carboxylate
benzyl(8S8aR)6amino577tricyano8(2(trifluoromethyl)phenyl)3788atetrahydroisoquinoline2(1H)carboxylate
C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC=CC=C4C(F)(F)F
InChI=1SC27H20F3N5O2c2827(2930)22954819(22)23211335(25(36)3714176213717)111018(21)20(1231)24(34)26(231532)1633h1102123H11131434H2t2123+m0s1
MFCD24857502
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccccc1C(F)(F)F)(C#N)C#N
ZINC000008441969
ZINC08441969
ZINC8441969
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.