Vitas-M small molecule compound
benzyl (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
STK547428
SMILES CCOc1cc(ccc1OCCN1CCOCC1)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCc1ccccc1
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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 C34H36N6O5 MW 608.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H36N6O5/c1-2-43-30-18-25(8-9-29(30)44-17-14-39-12-15-42-16-13-39)31-28-20-40(33(41)45-21-24-6-4-3-5-7-24)11-10-26(28)27(19-35)32(38)34(31,22-36)23-37/h3-10,18,28,31H,2,11-17,20-21,38H2,1H3/t28-,31+/m0/s1InChIKey
SBDIEORNGKOQKE-QCENPCRXSA-NSynonyms
(8S8aR)benzyl6amino577tricyano8(3ethoxy4(2morpholinoethoxy)phenyl)1788atetrahydroisoquinoline2(3H)carboxylate
benzyl(8S8aR)6amino577tricyano8(3ethoxy4(2(morpholin4yl)ethoxy)phenyl)3788atetrahydroisoquinoline2(1H)carboxylate
benzyl(8S8aR)6amino577tricyano8(3ethoxy4(2morpholin4ylethoxy)phenyl)1388atetrahydroisoquinoline2carboxylate
CCOC1=C(C=CC(=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC4=CC=CC=C4)OCCN5CCOCC5
CCOc1cc(ccc1OCCN1CCOCC1)(C@@H)1(C@H)2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OCc1ccccc1
InChI=1SC34H36N6O5c1243301825(8929(30)44171439121542161339)31282040(33(41)4521246435724)111026(28)27(1935)32(38)34(312236)2337h310182831H21117202138H21H3t2831+m0s1
MFCD18242343
ZINC000097940242
ZINC97940242
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.