Vitas-M small molecule compound
ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-[3-methoxy-4-(propan-2-yloxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK542723
SMILES CCOC(=O)N1CC=C2[C@H](C1)[C@@H](c1ccc(c(c1)OC)OC(C)C)C(C(=C2C#N)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 C25H27N5O4 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O4/c1-5-33-24(31)30-9-8-17-18(11-26)23(29)25(13-27,14-28)22(19(17)12-30)16-6-7-20(34-15(2)3)21(10-16)32-4/h6-8,10,15,19,22H,5,9,12,29H2,1-4H3/t19-,22+/m0/s1InChIKey
LJNLRQSBOGBDMY-SIKLNZKXSA-NSynonyms
488783-78-4(8S8aR)ethyl6amino577tricyano8(4isopropoxy3methoxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
488783784
CCOC(=O)N1CC=C2(C@H)(C1)(C@@H)(c1ccc(c(c1)OC)OC(C)C)C(C(=C2C#N)N)(C#N)C#N
CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3)OC(C)C)OC
ethyl(8S8aR)6amino577tricyano8(3methoxy4(propan2yloxy)phenyl)3788atetrahydroisoquinoline2(1H)carboxylate
ethyl(8S8aR)6amino577tricyano8(3methoxy4propan2yloxyphenyl)1388atetrahydroisoquinoline2carboxylate
InChI=1SC25H27N5O4c153324(31)30981718(1126)23(29)25(13271428)22(19(17)1230)166720(3415(2)3)21(1016)324h6810151922H591229H214H3t1922+m0s1
MFCD18242021
ZINC000008411428
ZINC08411428
ZINC8411428
Check stock
See real-time availability and sample size for STK542723 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.