Vitas-M small molecule compound
tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,4-diethoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK541857
SMILES CCOc1cc(ccc1OCC)[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 C27H31N5O4 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5O4/c1-6-34-21-9-8-17(12-22(21)35-7-2)23-20-14-32(25(33)36-26(3,4)5)11-10-18(20)19(13-28)24(31)27(23,15-29)16-30/h8-10,12,20,23H,6-7,11,14,31H2,1-5H3/t20-,23+/m0/s1InChIKey
USLUTXOLYGKFDE-NZQKXSOJSA-NSynonyms
1212138-44-7(8S8aR)tertbutyl6amino577tricyano8(34diethoxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
CCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OC(C)(C)C)OCC
CCOc1cc(ccc1OCC)(C@@H)1(C@H)2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OC(C)(C)C
tertbutyl(8S8aR)6amino577tricyano8(34diethoxyphenyl)1388atetrahydroisoquinoline2carboxylate
tertbutyl(8S8aR)6amino577tricyano8(34diethoxyphenyl)3788atetrahydroisoquinoline2(1H)carboxylate
Registry IDs
MFCD18241939ZINC000001251580
ZINC01251580
ZINC1251580
Check stock
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Check stock on Vitas-MAvailable files
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