Vitas-M small molecule compound

1-[11-(4-chlorophenyl)-3-(furan-2-yl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one

Catalog ID
STK064034
SMILES CCCCCC(=O)N1C(c2ccc(cc2)Cl)C2=C(O)CC(CC2=Nc2c1cccc2)c1ccco1

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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 C29H29ClN2O3 MW 489.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN2O3/c1-2-3-4-11-27(34)32-24-9-6-5-8-22(24)31-23-17-20(26-10-7-16-35-26)18-25(33)28(23)29(32)19-12-14-21(30)15-13-19/h5-10,12-16,20,29,33H,2-4,11,17-18H2,1H3
InChIKey
JCNGHFBQADSCAT-UHFFFAOYSA-N
Synonyms

1(11(4chlorophenyl)3(furan2yl)1hydroxy23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)hexan1one
1(11(4chlorophenyl)3(furan2yl)1hydroxy34dihydro2Hdibenzo(be)(14)diazepin10(11H)yl)hexan1one
CCCCCC(=O)N1C(c2ccc(cc2)Cl)C2=C(O)CC(CC2=Nc2c1cccc2)c1ccco1
MFCD03194809
STK064034
ZINC000100426948
ZINC000100426959

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Available files

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