Vitas-M small molecule compound
(8S,8aS)-6-amino-8-(2-bromophenyl)-7,7-dicyano-2-methyl-1,2,3,7,8,8a-hexahydroisoquinoline-5-carboxylic acid
Catalog ID
STK673079
SMILES N#CC1(C#N)C(=C(C(=O)O)C2=CCN(C[C@H]2[C@@H]1c1ccccc1Br)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 C19H17BrN4O2 MW 413.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrN4O2/c1-24-7-6-11-13(8-24)16(12-4-2-3-5-14(12)20)19(9-21,10-22)17(23)15(11)18(25)26/h2-6,13,16H,7-8,23H2,1H3,(H,25,26)/t13-,16+/m1/s1InChIKey
GFFQYXYPBWSFTC-CJNGLKHVSA-NSynonyms
(8S8aS)6amino8(2bromophenyl)77dicyano2methyl123788ahexahydroisoquinoline5carboxylicacid
(8S8aS)6amino8(2bromophenyl)77dicyano2methyl2388atetrahydro1Hisoquinolin2ium5carboxylate
C(NH+)1CC=C2C(C1)C(C(C(=C2C(=O)(O))N)(C#N)C#N)C3=CC=CC=C3Br
InChI=1SC19H17BrN4O2c124761113(824)16(12423514(12)20)19(9211022)17(23)15(11)18(25)26h261316H7823H21H3(H2526)t1316+m1s1
MFCD18246853
N#CC1(C#N)C(=C(C(=O)O)C2=CCN(C(C@H)2(C@@H)1c1ccccc1Br)C)N
ZINC000004457793
ZINC04457793
ZINC4457793
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