Vitas-M small molecule compound
benzyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2-methoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK072827
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccccc1OC)(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 C27H23N5O3 MW 465.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N5O3/c1-34-23-10-6-5-9-20(23)24-22-14-32(26(33)35-15-18-7-3-2-4-8-18)12-11-19(22)21(13-28)25(31)27(24,16-29)17-30/h2-11,22,24H,12,14-15,31H2,1H3/t22-,24+/m0/s1InChIKey
LAONXHQLDPRNSR-LADGPHEKSA-NSynonyms
303953-34-6(8R8aR)benzyl6amino577tricyano8(2methoxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
303953346
benzyl(8R8aR)6amino577tricyano8(2methoxyphenyl)1388atetrahydroisoquinoline2carboxylate
benzyl(8R8aR)6amino577tricyano8(2methoxyphenyl)3788atetrahydroisoquinoline2(1H)carboxylate
COC1=CC=CC=C1C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC4=CC=CC=C4
InChI=1SC27H23N5O3c134231065920(23)24221432(26(33)3515187324818)121119(22)21(1328)25(31)27(241629)1730h2112224H12141531H21H3t2224+m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccccc1OC)(C#N)C#N
STK072827
ZINC000019851969
ZINC19851969
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