Vitas-M small molecule compound
methyl 11-(3-bromophenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Catalog ID
STK105394
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1cccc(c1)Br
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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 C22H21BrN2O3 MW 441.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O3/c1-12-10-17-19(21(26)18(12)22(27)28-2)20(13-6-5-7-14(23)11-13)25-16-9-4-3-8-15(16)24-17/h3-9,11-12,18,20,24-25H,10H2,1-2H3InChIKey
KFPOOBLYEBYBKQ-UHFFFAOYSA-NSynonyms
CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=CC=C4)Br)C(=O)C1C(=O)OC
InChI=1SC22H21BrN2O3c112101719(21(26)18(12)22(27)282)20(1365714(23)1113)2516943815(16)2417h39111218202425H10H212H3
methyl11(3bromophenyl)3methyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
methyl6(3bromophenyl)9methyl7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD03632450
ZINC000000815908
ZINC000012385058
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Check stock on Vitas-MAvailable files
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