Vitas-M small molecule compound
methyl 11-(2,5-difluorophenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Catalog ID
STK403834
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1cc(F)ccc1F
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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 C22H20F2N2O3 MW 398.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F2N2O3/c1-11-9-17-19(21(27)18(11)22(28)29-2)20(13-10-12(23)7-8-14(13)24)26-16-6-4-3-5-15(16)25-17/h3-8,10-11,18,20,25-26H,9H2,1-2H3InChIKey
MEQRVCMWCLVXAP-UHFFFAOYSA-NSynonyms
CC1CC2=C(C(NC3=CC=CC=C3N2)C4=C(C=CC(=C4)F)F)C(=O)C1C(=O)OC
InChI=1SC22H20F2N2O3c11191719(21(27)18(11)22(28)292)20(131012(23)7814(13)24)2616643515(16)2517h38101118202526H9H212H3
methyl11(25difluorophenyl)3methyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
methyl6(25difluorophenyl)9methyl7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD03632572
ZINC000000720004
ZINC000012385028
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