Vitas-M small molecule compound
tert-butyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK541992
SMILES CCCOc1ccc(cc1OC)[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/c1-6-11-35-21-8-7-17(12-22(21)34-5)23-20-14-32(25(33)36-26(2,3)4)10-9-18(20)19(13-28)24(31)27(23,15-29)16-30/h7-9,12,20,23H,6,10-11,14,31H2,1-5H3/t20-,23+/m0/s1InChIKey
MPARNWFTISSAOV-NZQKXSOJSA-NSynonyms
1212268-48-8(8S8aR)tertbutyl6amino577tricyano8(3methoxy4propoxyphenyl)1788atetrahydroisoquinoline2(3H)carboxylate
1212268488
CCCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OC(C)(C)C)OC
CCCOc1ccc(cc1OC)(C@@H)1(C@H)2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)OC(C)(C)C
InChI=1SC27H31N5O4c161135218717(1222(21)345)23201432(25(33)3626(23)4)10918(20)19(1328)24(31)27(231529)1630h79122023H610111431H215H3t2023+m0s1
MFCD18241954
tertbutyl(8S8aR)6amino577tricyano8(3methoxy4propoxyphenyl)1388atetrahydroisoquinoline2carboxylate
tertbutyl(8S8aR)6amino577tricyano8(3methoxy4propoxyphenyl)3788atetrahydroisoquinoline2(1H)carboxylate
ZINC000001818750
ZINC01818750
ZINC1818750
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.