Vitas-M small molecule compound

methyl 11-(2,5-dimethylphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate

Catalog ID
STK403705
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(Nc1c(N2)cccc1)c1cc(C)ccc1C

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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 C24H26N2O3 MW 390.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O3/c1-13-9-10-14(2)16(11-13)22-21-19(25-17-7-5-6-8-18(17)26-22)12-15(3)20(23(21)27)24(28)29-4/h5-11,15,20,22,25-26H,12H2,1-4H3
InChIKey
IVAFCTRTNBKATM-UHFFFAOYSA-N
Synonyms

CC1CC2=C(C(NC3=CC=CC=C3N2)C4=C(C=CC(=C4)C)C)C(=O)C1C(=O)OC
InChI=1SC24H26N2O3c11391014(2)16(1113)222119(2517756818(17)2622)1215(3)20(23(21)27)24(28)294h5111520222526H12H214H3
methyl11(25dimethylphenyl)3methyl1oxo23451011hexahydro1Hdibenzo(be)(14)diazepine2carboxylate
methyl6(25dimethylphenyl)9methyl7oxo56891011hexahydrobenzo(b)(14)benzodiazepine8carboxylate
MFCD03632423
ZINC000000815899
ZINC000004189220

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.