Vitas-M small molecule compound
benzyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-nitrophenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK035613
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1cccc(c1)[N+](=O)[O-])(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 C26H20N6O4 MW 480.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N6O4/c27-12-21-20-9-10-31(25(33)36-14-17-5-2-1-3-6-17)13-22(20)23(26(15-28,16-29)24(21)30)18-7-4-8-19(11-18)32(34)35/h1-9,11,22-23H,10,13-14,30H2/t22-,23+/m0/s1InChIKey
RGNJDPOTBZWDPG-XZOQPEGZSA-NSynonyms
303953-42-6(8S8aR)benzyl6amino577tricyano8(3nitrophenyl)1788atetrahydroisoquinoline2(3H)carboxylate
303953426
benzyl(8S8aR)6amino577tricyano8(3nitrophenyl)1388atetrahydroisoquinoline2carboxylate
benzyl(8S8aR)6amino577tricyano8(3nitrophenyl)3788atetrahydroisoquinoline2(1H)carboxylate
C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC26H20N6O4c2712212091031(25(33)3614175213617)1322(20)23(26(15281629)24(21)30)1874819(1118)32(34)35h19112223H10131430H2t2223+m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OCc1ccccc1)c1cccc(c1)(N+)(=O)(O))(C#N)C#N
STK035613
ZINC000008951353
ZINC08951353
ZINC8951353
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.