Vitas-M small molecule compound
tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-[3-ethoxy-4-(propan-2-yloxy)phenyl]-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK539314
SMILES CCOc1cc(ccc1OC(C)C)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OC(C)(C)C
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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 C28H33N5O4 MW 503.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N5O4/c1-7-35-23-12-18(8-9-22(23)36-17(2)3)24-21-14-33(26(34)37-27(4,5)6)11-10-19(21)20(13-29)25(32)28(24,15-30)16-31/h8-10,12,17,21,24H,7,11,14,32H2,1-6H3/t21-,24+/m0/s1InChIKey
RWXUTVGACDKSDP-XUZZJYLKSA-NSynonyms
459155-45-4(8S8aR)tertbutyl6amino577tricyano8(3ethoxy4isopropoxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
459155454
CCOC1=C(C=CC(=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OC(C)(C)C)OC(C)C
CCOc1cc(ccc1OC(C)C)(C@@H)1(C@H)2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OC(C)(C)C
InChI=1SC28H33N5O4c1735231218(8922(23)3617(2)3)24211433(26(34)3727(45)6)111019(21)20(1329)25(32)28(241530)1631h81012172124H7111432H216H3t2124+m0s1
MFCD18241754
tertbutyl(8S8aR)6amino577tricyano8(3ethoxy4(propan2yloxy)phenyl)3788atetrahydroisoquinoline2(1H)carboxylate
tertbutyl(8S8aR)6amino577tricyano8(3ethoxy4propan2yloxyphenyl)1388atetrahydroisoquinoline2carboxylate
ZINC000001245442
ZINC01245442
ZINC1245442
Check stock
See real-time availability and sample size for STK539314 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.