Vitas-M small molecule compound
(4S,4aS)-2-amino-4-(2-bromophenyl)-10-methyl-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
Catalog ID
STK524623
SMILES N#CC1=C(N)C([C@H]([C@H]2C1=CC1CCC2N1C)c1ccccc1Br)(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 C21H18BrN5 MW 420.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN5/c1-27-12-6-7-17(27)18-14(8-12)15(9-23)20(26)21(10-24,11-25)19(18)13-4-2-3-5-16(13)22/h2-5,8,12,17-19H,6-7,26H2,1H3/t12?,17?,18-,19-/m0/s1InChIKey
KJLBUTKDFBUFCK-FOLHBFKUSA-NSynonyms
294635-07-7(4S4aS)2amino4(2bromophenyl)10methyl44a5678hexahydro3H58epiminobenzo(7)annulene133tricarbonitrile
294635077
CN1C2CCC1C3C(C(C(=C(C3=C2)C#N)N)(C#N)C#N)C4=CC=CC=C4Br
InChI=1SC21H18BrN5c127126717(27)1814(812)15(923)20(26)21(10241125)19(18)13423516(13)22h258121719H6726H21H3t12?17?1819m0s1
MFCD18241533
N#CC1=C(N)C((C@H)((C@H)2C1=CC1CCC2N1C)c1ccccc1Br)(C#N)C#N
ZINC000105295531
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