Vitas-M small molecule compound
6-amino-8-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STL335285
SMILES CCOc1cc(ccc1OC(C)C)C1C2CN(C)CC=C2C(=C(C1(C#N)C#N)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 C24H27N5O2 MW 417.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O2/c1-5-30-21-10-16(6-7-20(21)31-15(2)3)22-19-12-29(4)9-8-17(19)18(11-25)23(28)24(22,13-26)14-27/h6-8,10,15,19,22H,5,9,12,28H2,1-4H3InChIKey
AIZDIQKRZWHYTD-UHFFFAOYSA-NSynonyms
(8S8aR)6amino8(3ethoxy4isopropoxyphenyl)2methyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
6amino8(3ethoxy4(propan2yloxy)phenyl)2methyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
6amino8(3ethoxy4propan2yloxyphenyl)2methyl1388atetrahydroisoquinoline577tricarbonitrile
CCOC1=C(C=CC(=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C)OC(C)C
CCOc1cc(ccc1OC(C)C)(C@@H)1(C@H)2CN(C)CC=C2C(=C(C1(C#N)C#N)N)C#N
InChI=1SC24H27N5O2c1530211016(6720(21)3115(2)3)22191229(4)9817(19)18(1125)23(28)24(221326)1427h6810151922H591228H214H3
MFCD05240254
ZINC000000803655
ZINC000020000227
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