Vitas-M small molecule compound
methyl 11-(2-chloro-6-fluorophenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Catalog ID
STK403710
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1c(F)cccc1Cl
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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 C22H20ClFN2O3 MW 414.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClFN2O3/c1-11-10-16-19(21(27)17(11)22(28)29-2)20(18-12(23)6-5-7-13(18)24)26-15-9-4-3-8-14(15)25-16/h3-9,11,17,20,25-26H,10H2,1-2H3InChIKey
BQIHILLSARWNLG-UHFFFAOYSA-NSynonyms
CC1CC2=C(C(NC3=CC=CC=C3N2)C4=C(C=CC=C4Cl)F)C(=O)C1C(=O)OC
InChI=1SC22H20ClFN2O3c111101619(21(27)17(11)22(28)292)20(1812(23)65713(18)24)2615943814(15)2516h391117202526H10H212H3
methyl11(2chloro6fluorophenyl)3methyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
methyl6(2chloro6fluorophenyl)9methyl7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD03632428
ZINC000000815901
ZINC000012385019
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