Vitas-M small molecule compound
(8S,8aR)-6-amino-8-(3-bromo-4-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Catalog ID
STK539350
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C)c1ccc(c(c1)Br)OC)(C#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 C20H18BrN5O MW 424.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN5O/c1-26-6-5-13-14(8-22)19(25)20(10-23,11-24)18(15(13)9-26)12-3-4-17(27-2)16(21)7-12/h3-5,7,15,18H,6,9,25H2,1-2H3/t15-,18+/m0/s1InChIKey
OMZKHWQYIBHPEK-MAUKXSAKSA-NSynonyms
488083-17-6(8S8aR)6amino8(3bromo4methoxyphenyl)2methyl1388atetrahydroisoquinoline577tricarbonitrile
(8S8aR)6amino8(3bromo4methoxyphenyl)2methyl2388atetrahydroisoquinoline577(1H)tricarbonitrile
488083176
CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3)OC)Br
InChI=1SC20H18BrN5Oc126651314(822)19(25)20(10231124)18(15(13)926)123417(272)16(21)712h3571518H6925H212H3t1518+m0s1
MFCD18241758
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C)c1ccc(c(c1)Br)OC)(C#N)C#N
ZINC000019816125
ZINC19816125
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