Vitas-M small molecule compound
(8S,8aS)-6-amino-7,7-dicyano-2-methyl-8-(5-methylfuran-2-yl)-1,2,3,7,8,8a-hexahydroisoquinoline-5-carboxylic acid
Catalog ID
STK673081
SMILES N#CC1(C#N)[C@@H](c2ccc(o2)C)[C@@H]2CN(C)CC=C2C(=C1N)C(=O)O
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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 C18H18N4O3 MW 338.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O3/c1-10-3-4-13(25-10)15-12-7-22(2)6-5-11(12)14(17(23)24)16(21)18(15,8-19)9-20/h3-5,12,15H,6-7,21H2,1-2H3,(H,23,24)/t12-,15-/m1/s1InChIKey
WLFYZSBOWZJHBB-IUODEOHRSA-NSynonyms
(8S8aS)6amino77dicyano2methyl8(5methylfuran2yl)123788ahexahydroisoquinoline5carboxylicacid
(8S8aS)6amino77dicyano2methyl8(5methylfuran2yl)2388atetrahydro1Hisoquinolin2ium5carboxylate
CC1=CC=C(O1)C2C3C(NH+)(CC=C3C(=C(C2(C#N)C#N)N)C(=O)(O))C
InChI=1SC18H18N4O3c1103413(2510)1512722(2)6511(12)14(17(23)24)16(21)18(15819)920h351215H6721H212H3(H2324)t1215m1s1
MFCD18246854
N#CC1(C#N)(C@@H)(c2ccc(o2)C)(C@@H)2CN(C)CC=C2C(=C1N)C(=O)O
ZINC000001084455
ZINC01084455
ZINC1084455
Check stock
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