Vitas-M small molecule compound
ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-{3-ethoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK547959
SMILES CCOc1cc(ccc1OCCN1CCOCC1)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCC
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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 C29H34N6O5 MW 546.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N6O5/c1-3-38-25-15-20(5-6-24(25)40-14-11-34-9-12-37-13-10-34)26-23-17-35(28(36)39-4-2)8-7-21(23)22(16-30)27(33)29(26,18-31)19-32/h5-7,15,23,26H,3-4,8-14,17,33H2,1-2H3/t23-,26+/m0/s1InChIKey
JNGUHFCCOAKBHN-JYFHCDHNSA-NSynonyms
1212376-13-0(8S8aR)ethyl6amino577tricyano8(3ethoxy4(2morpholinoethoxy)phenyl)1788atetrahydroisoquinoline2(3H)carboxylate
1212376130
CCOC1=C(C=CC(=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC)OCCN4CCOCC4
CCOc1cc(ccc1OCCN1CCOCC1)(C@@H)1(C@H)2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCC
ethyl(8S8aR)6amino577tricyano8(3ethoxy4(2(morpholin4yl)ethoxy)phenyl)3788atetrahydroisoquinoline2(1H)carboxylate
ethyl(8S8aR)6amino577tricyano8(3ethoxy4(2morpholin4ylethoxy)phenyl)1388atetrahydroisoquinoline2carboxylate
InChI=1SC29H34N6O5c1338251520(5624(25)4014113491237131034)26231735(28(36)3942)8721(23)22(1630)27(33)29(261831)1932h57152326H348141733H212H3t2326+m0s1
MFCD18242383
ZINC000097940243
ZINC97940243
Check stock
See real-time availability and sample size for STK547959 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.