Vitas-M small molecule compound

tert-butyl (8R,8aR)-6-amino-8-(5-bromo-2-methoxyphenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate

Catalog ID
STK700220
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OC(C)(C)C)c1cc(Br)ccc1OC)(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 C24H24BrN5O3 MW 510.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24BrN5O3/c1-23(2,3)33-22(31)30-8-7-15-17(10-26)21(29)24(12-27,13-28)20(18(15)11-30)16-9-14(25)5-6-19(16)32-4/h5-7,9,18,20H,8,11,29H2,1-4H3/t18-,20+/m0/s1
InChIKey
VNGYTHJVEJPTHM-AZUAARDMSA-N
Synonyms
351449-16-6
(8R8aR)tertbutyl6amino8(5bromo2methoxyphenyl)577tricyano1788atetrahydroisoquinoline2(3H)carboxylate
351449166
CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)Br)OC
InChI=1SC24H24BrN5O3c123(23)3322(31)30871517(1026)21(29)24(12271328)20(18(15)1130)16914(25)5619(16)324h5791820H81129H214H3t1820+m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OC(C)(C)C)c1cc(Br)ccc1OC)(C#N)C#N
tertbutyl(8R8aR)6amino8(5bromo2methoxyphenyl)577tricyano1388atetrahydroisoquinoline2carboxylate
tertbutyl(8R8aR)6amino8(5bromo2methoxyphenyl)577tricyano3788atetrahydroisoquinoline2(1H)carboxylate
ZINC000008926351
ZINC08926351
ZINC8926351

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Available files

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