Vitas-M small molecule compound
3,3-dimethyl-11-[4-(trifluoromethoxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK002426
SMILES O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cccc1)c1ccc(cc1)OC(F)(F)F
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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 C22H21F3N2O2 MW 402.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21F3N2O2/c1-21(2)11-17-19(18(28)12-21)20(27-16-6-4-3-5-15(16)26-17)13-7-9-14(10-8-13)29-22(23,24)25/h3-10,20,26-27H,11-12H2,1-2H3InChIKey
VKJRRUFBVMMRHE-UHFFFAOYSA-NSynonyms
444151-02-433dimethyl11(4(trifluoromethoxy)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
444151024
99dimethyl6(4(trifluoromethoxy)phenyl)681011tetrahydro5Hbenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)OC(F)(F)F)C(=O)C1)C
InChI=1SC22H21F3N2O2c121(2)111719(18(28)1221)20(2716643515(16)2617)137914(10813)2922(2324)25h310202627H1112H212H3
MFCD00246028
O=C1CC(C)(C)CC2=C1C(Nc1c(N2)cccc1)c1ccc(cc1)OC(F)(F)F
STK002426
ZINC000004548474
ZINC000004548477
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