Vitas-M small molecule compound
(4R,4aR,5S,8R)-2-amino-4-(3-chlorophenyl)-10-methyl-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
Catalog ID
STK783449
SMILES N#CC1=C(N)C([C@H]([C@@H]2C1=CC1CC[C@H]2N1C)c1cccc(c1)Cl)(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 C21H18ClN5 MW 375.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN5/c1-27-14-5-6-17(27)18-15(8-14)16(9-23)20(26)21(10-24,11-25)19(18)12-3-2-4-13(22)7-12/h2-4,7-8,14,17-19H,5-6,26H2,1H3/t14?,17-,18+,19-/m0/s1InChIKey
SRXGHYFYLFKBSY-JVPQYHMTSA-NSynonyms
(4R4aR5S8R)2amino4(3chlorophenyl)10methyl44a5678hexahydro3H58epiminobenzo(7)annulene133tricarbonitrile
MFCD06618249
N#CC1=C(N)C((C@H)((C@@H)2C1=CC1CC(C@H)2N1C)c1cccc(c1)Cl)(C#N)C#N
ZINC000012371973
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