Vitas-M small molecule compound
2-amino-10-methyl-4-[3-(trifluoromethyl)phenyl]-4,4a,5,6,7,8-hexahydro-3H-5,8-epiminobenzo[7]annulene-1,3,3-tricarbonitrile
Catalog ID
STL170984
SMILES N#CC1=C(N)C(C(C2C1=CC1CCC2N1C)c1cccc(c1)C(F)(F)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 C22H18F3N5 MW 409.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F3N5/c1-30-14-5-6-17(30)18-15(8-14)16(9-26)20(29)21(10-27,11-28)19(18)12-3-2-4-13(7-12)22(23,24)25/h2-4,7-8,14,17-19H,5-6,29H2,1H3InChIKey
XUFJORXVCDBGLG-UHFFFAOYSA-NSynonyms
2amino10methyl4(3(trifluoromethyl)phenyl)44a5678hexahydro3H58epiminobenzo(7)annulene133tricarbonitrile
CN1C2CCC1C3C(C(C(=C(C3=C2)C#N)N)(C#N)C#N)C4=CC(=CC=C4)C(F)(F)F
InChI=1SC22H18F3N5c130145617(30)1815(814)16(926)20(29)21(10271128)19(18)1232413(712)22(2324)25h2478141719H5629H21H3
MFCD01451546
ZINC000102436612
ZINC000245254033
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