Vitas-M small molecule compound
methyl 11-(4-chlorophenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Catalog ID
STK403696
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1ccc(cc1)Cl
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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 C22H21ClN2O3 MW 396.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O3/c1-12-11-17-19(21(26)18(12)22(27)28-2)20(13-7-9-14(23)10-8-13)25-16-6-4-3-5-15(16)24-17/h3-10,12,18,20,24-25H,11H2,1-2H3InChIKey
SFSJUPHOHNFSES-UHFFFAOYSA-NSynonyms
1005060-16-11005060161
CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)Cl)C(=O)C1C(=O)OC
InChI=1SC22H21ClN2O3c112111719(21(26)18(12)22(27)282)20(137914(23)10813)2516643515(16)2417h3101218202425H11H212H3
methyl11(4chlorophenyl)3methyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
methyl6(4chlorophenyl)9methyl7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD03632413
ZINC000001440242
ZINC000101315336
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