Vitas-M small molecule compound
tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-ethoxy-4-propoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK539580
SMILES CCCOc1ccc(cc1OCC)[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/c1-6-12-36-22-9-8-18(13-23(22)35-7-2)24-21-15-33(26(34)37-27(3,4)5)11-10-19(21)20(14-29)25(32)28(24,16-30)17-31/h8-10,13,21,24H,6-7,11-12,15,32H2,1-5H3/t21-,24+/m0/s1InChIKey
IFKINZGWWYLCJN-XUZZJYLKSA-NSynonyms
459783-73-4(8S8aR)tertbutyl6amino577tricyano8(3ethoxy4propoxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
459783734
CCCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OC(C)(C)C)OCC
CCCOc1ccc(cc1OCC)(C@@H)1(C@H)2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OC(C)(C)C
InChI=1SC28H33N5O4c161236229818(1323(22)3572)24211533(26(34)3727(34)5)111019(21)20(1429)25(32)28(241630)1731h810132124H6711121532H215H3t2124+m0s1
MFCD18241771
tertbutyl(8S8aR)6amino577tricyano8(3ethoxy4propoxyphenyl)1388atetrahydroisoquinoline2carboxylate
tertbutyl(8S8aR)6amino577tricyano8(3ethoxy4propoxyphenyl)3788atetrahydroisoquinoline2(1H)carboxylate
ZINC000001825882
ZINC01825882
ZINC1825882
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.