Vitas-M small molecule compound
tert-butyl (8R)-6-amino-8-(4-bromophenyl)-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK526712
SMILES N#CC1=C(N)C([C@H](C2C1=CCN(C2)C(=O)OC(C)(C)C)c1ccc(cc1)Br)(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 C23H22BrN5O2 MW 480.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrN5O2/c1-22(2,3)31-21(30)29-9-8-16-17(10-25)20(28)23(12-26,13-27)19(18(16)11-29)14-4-6-15(24)7-5-14/h4-8,18-19H,9,11,28H2,1-3H3/t18?,19-/m0/s1InChIKey
JQADNVVRNPBNCI-GGYWPGCISA-NSynonyms
1212460-00-8(8R)tertbutyl6amino8(4bromophenyl)577tricyano1788atetrahydroisoquinoline2(3H)carboxylate
1212460008
CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)Br
InChI=1SC23H22BrN5O2c122(23)3121(30)29981617(1025)20(28)23(12261327)19(18(16)1129)144615(24)7514h481819H91128H213H3t18?19m0s1
MFCD18241563
N#CC1=C(N)C((C@H)(C2C1=CCN(C2)C(=O)OC(C)(C)C)c1ccc(cc1)Br)(C#N)C#N
tertbutyl(8R)6amino8(4bromophenyl)577tricyano1388atetrahydroisoquinoline2carboxylate
tertbutyl(8R)6amino8(4bromophenyl)577tricyano3788atetrahydroisoquinoline2(1H)carboxylate
ZINC000008934401
ZINC000008934402
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