Vitas-M small molecule compound
(4R,4aS)-2-amino-4-(3,4-dichlorophenyl)-10-methyl-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
Catalog ID
STK524603
SMILES N#CC1=C(N)C([C@H]([C@H]2C1=CC1CCC2N1C)c1ccc(c(c1)Cl)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 C21H17Cl2N5 MW 410.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl2N5/c1-28-12-3-5-17(28)18-13(7-12)14(8-24)20(27)21(9-25,10-26)19(18)11-2-4-15(22)16(23)6-11/h2,4,6-7,12,17-19H,3,5,27H2,1H3/t12?,17?,18-,19-/m0/s1InChIKey
CRZZFQSJDRYLJT-FOLHBFKUSA-NSynonyms
351445-06-2(4R4aS)2amino4(34dichlorophenyl)10methyl44a5678hexahydro3H58epiminobenzo(7)annulene133tricarbonitrile
351445062
CN1C2CCC1C3C(C(C(=C(C3=C2)C#N)N)(C#N)C#N)C4=CC(=C(C=C4)Cl)Cl
InChI=1SC21H17Cl2N5c128123517(28)1813(712)14(824)20(27)21(9251026)19(18)112415(22)16(23)611h2467121719H3527H21H3t12?17?1819m0s1
MFCD18241532
N#CC1=C(N)C((C@H)((C@H)2C1=CC1CCC2N1C)c1ccc(c(c1)Cl)Cl)(C#N)C#N
ZINC000102603745
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