Vitas-M small molecule compound
(4R,4aR)-2-amino-4-(2,3-dimethoxyphenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Catalog ID
STK699978
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCCC2)c1cccc(c1OC)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 C21H20N4O2 MW 360.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2/c1-26-17-9-5-8-15(19(17)27-2)18-14-7-4-3-6-13(14)16(10-22)20(25)21(18,11-23)12-24/h5-6,8-9,14,18H,3-4,7,25H2,1-2H3/t14-,18-/m0/s1InChIKey
MHHHZWBNMRAUPF-KSSFIOAISA-NSynonyms
302589-58-8(4R4aR)2amino4(23dimethoxyphenyl)4a567tetrahydro4Hnaphthalene133tricarbonitrile
(4R4aR)2amino4(23dimethoxyphenyl)4a567tetrahydronaphthalene133(4H)tricarbonitrile
2AMINO4(23DIMETHOXYPHENYL)4A567TETRAHYDRO133(4H)NAPHTHALENETRICARBONITRILE
302589588
COC1=CC=CC(=C1OC)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N
InChI=1SC21H20N4O2c1261795815(19(17)272)1814743613(14)16(1022)20(25)21(181123)1224h56891418H34725H212H3t1418m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCCC2)c1cccc(c1OC)OC)(C#N)C#N
ZINC000019816363
ZINC19816363
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