Vitas-M small molecule compound
(4R,4aS)-2-amino-4-(4-bromophenyl)-10-methyl-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
Catalog ID
STK526196
SMILES N#CC1=C(N)C([C@H]([C@H]2C1=CC1CCC2N1C)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 C21H18BrN5 MW 420.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN5/c1-27-14-6-7-17(27)18-15(8-14)16(9-23)20(26)21(10-24,11-25)19(18)12-2-4-13(22)5-3-12/h2-5,8,14,17-19H,6-7,26H2,1H3/t14?,17?,18-,19-/m0/s1InChIKey
JQOWUEPPUWFFJG-OTQHQDGKSA-NSynonyms
308290-49-5(4R4aS)2amino4(4bromophenyl)10methyl44a5678hexahydro3H58epiminobenzo(7)annulene133tricarbonitrile
308290495
CN1C2CCC1C3C(C(C(=C(C3=C2)C#N)N)(C#N)C#N)C4=CC=C(C=C4)Br
InChI=1SC21H18BrN5c127146717(27)1815(814)16(923)20(26)21(10241125)19(18)122413(22)5312h258141719H6726H21H3t14?17?1819m0s1
MFCD18241555
N#CC1=C(N)C((C@H)((C@H)2C1=CC1CCC2N1C)c1ccc(cc1)Br)(C#N)C#N
ZINC000105298691
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