Vitas-M small molecule compound
2-amino-4-(3-fluorophenyl)-10-methyl-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
Catalog ID
STL323038
SMILES N#CC1=C(N)C(C(C2C1=CC1CCC2N1C)c1cccc(c1)F)(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 C21H18FN5 MW 359.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN5/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,5-6,26H2,1H3InChIKey
HSQSGIPRWNRTCY-UHFFFAOYSA-NSynonyms
(4R4aS)2amino4(3fluorophenyl)10methyl44a5678hexahydro3H58epiminobenzo(7)annulene133tricarbonitrile
2amino4(3fluorophenyl)10methyl44a5678hexahydro3H58epiminobenzo(7)annulene133tricarbonitrile
CN1C2CCC1C3C(C(C(=C(C3=C2)C#N)N)(C#N)C#N)C4=CC(=CC=C4)F
InChI=1SC21H18FN5c127145617(27)1815(814)16(923)20(26)21(10241125)19(18)1232413(22)712h2478141719H5626H21H3
MFCD01242933
N#CC1=C(N)C((C@H)((C@H)2C1=CC1CCC2N1C)c1cccc(c1)F)(C#N)C#N
ZINC000101362235
ZINC000230187573
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