Vitas-M small molecule compound
benzyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK542687
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1F)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 C26H19F2N5O2 MW 471.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19F2N5O2/c27-17-6-7-19(22(28)10-17)23-21-12-33(25(34)35-13-16-4-2-1-3-5-16)9-8-18(21)20(11-29)24(32)26(23,14-30)15-31/h1-8,10,21,23H,9,12-13,32H2/t21-,23+/m0/s1InChIKey
SELKHUOZDGALCR-JTHBVZDNSA-NSynonyms
494792-85-7(8R8aR)benzyl6amino577tricyano8(24difluorophenyl)1788atetrahydroisoquinoline2(3H)carboxylate
494792857
benzyl(8R8aR)6amino577tricyano8(24difluorophenyl)1388atetrahydroisoquinoline2carboxylate
benzyl(8R8aR)6amino577tricyano8(24difluorophenyl)3788atetrahydroisoquinoline2(1H)carboxylate
C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=C(C=C(C=C4)F)F
InChI=1SC26H19F2N5O2c27176719(22(28)1017)23211233(25(34)3513164213516)9818(21)20(1129)24(32)26(231430)1531h18102123H9121332H2t2123+m0s1
MFCD18242016
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(cc1F)F)(C#N)C#N
ZINC000008442028
ZINC08442028
ZINC8442028
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.