Vitas-M small molecule compound
(8R,8aR)-6-amino-2-benzyl-8-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK542486
SMILES COc1ccc(c(c1)[C@@H]1[C@H]2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)Cc1ccccc1)OC
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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 C27H25N5O2 MW 451.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O2/c1-33-19-8-9-24(34-2)21(12-19)25-23-15-32(14-18-6-4-3-5-7-18)11-10-20(23)22(13-28)26(31)27(25,16-29)17-30/h3-10,12,23,25H,11,14-15,31H2,1-2H3/t23-,25+/m0/s1InChIKey
KIJSQHNXKYTOLM-UKILVPOCSA-NSynonyms
494792-76-6(8R8aR)6amino2benzyl8(25dimethoxyphenyl)1388atetrahydroisoquinoline577tricarbonitrile
(8R8aR)6amino2benzyl8(25dimethoxyphenyl)2388atetrahydroisoquinoline577(1H)tricarbonitrile
494792766
COC1=CC(=C(C=C1)OC)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)CC4=CC=CC=C4
COc1ccc(c(c1)(C@@H)1(C@H)2CN(CC=C2C(=C(C1(C#N)C#N)N)C#N)Cc1ccccc1)OC
InChI=1SC27H25N5O2c133198924(342)21(1219)25231532(14186435718)111020(23)22(1328)26(31)27(251629)1730h310122325H11141531H212H3t2325+m0s1
MFCD18242000
ZINC000019852569
ZINC19852569
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