Vitas-M small molecule compound
benzyl (8S,8aR)-6-amino-8-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK038944
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(c(c1)OC)OCC(=O)N)(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 C29H26N6O5 MW 538.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N6O5/c1-38-24-11-19(7-8-23(24)39-15-25(33)36)26-22-13-35(28(37)40-14-18-5-3-2-4-6-18)10-9-20(22)21(12-30)27(34)29(26,16-31)17-32/h2-9,11,22,26H,10,13-15,34H2,1H3,(H2,33,36)/t22-,26+/m0/s1InChIKey
KXNGDQNIZWXBAE-BKMJKUGQSA-NSynonyms
303980-46-3(8S8aR)benzyl6amino8(4(2amino2oxoethoxy)3methoxyphenyl)577tricyano1788atetrahydroisoquinoline2(3H)carboxylate
303980463
benzyl(8S8aR)6amino8(4(2amino2oxoethoxy)3methoxyphenyl)577tricyano1388atetrahydroisoquinoline2carboxylate
benzyl(8S8aR)6amino8(4(2amino2oxoethoxy)3methoxyphenyl)577tricyano3788atetrahydroisoquinoline2(1H)carboxylate
COC1=C(C=CC(=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC4=CC=CC=C4)OCC(=O)N
InChI=1SC29H26N6O5c138241119(7823(24)391525(33)36)26221335(28(37)4014185324618)10920(22)21(1230)27(34)29(261631)1732h29112226H10131534H21H3(H23336)t2226+m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OCc1ccccc1)c1ccc(c(c1)OC)OCC(=O)N)(C#N)C#N
STK038944
ZINC000098044965
ZINC98044965
Check stock
See real-time availability and sample size for STK038944 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.