Vitas-M small molecule compound
(8S,8aR)-2-acetyl-6-amino-8-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK543799
SMILES CCOc1cc(ccc1OC(C)C)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)C(=O)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 C25H27N5O3 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O3/c1-5-32-22-10-17(6-7-21(22)33-15(2)3)23-20-12-30(16(4)31)9-8-18(20)19(11-26)24(29)25(23,13-27)14-28/h6-8,10,15,20,23H,5,9,12,29H2,1-4H3/t20-,23+/m0/s1InChIKey
CBOKUNNVEZKADZ-NZQKXSOJSA-NSynonyms
1212324-35-0(8S8aR)2acetyl6amino8(3ethoxy4(propan2yloxy)phenyl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
(8S8aR)2acetyl6amino8(3ethoxy4isopropoxyphenyl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
(8S8aR)2acetyl6amino8(3ethoxy4propan2yloxyphenyl)1388atetrahydroisoquinoline577tricarbonitrile
1212324350
CCOC1=C(C=CC(=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)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)C
InChI=1SC25H27N5O3c1532221017(6721(22)3315(2)3)23201230(16(4)31)9818(20)19(1126)24(29)25(231327)1428h6810152023H591229H214H3t2023+m0s1
MFCD18242103
ZINC000001242178
ZINC01242178
ZINC1242178
Check stock
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