Vitas-M small molecule compound

1-[11-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-1-hydroxy-3-(4-methoxyphenyl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-3-methylbutan-1-one

Catalog ID
STK004177
SMILES CCOc1cc(ccc1OCc1ccc(cc1)Cl)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)CC(C)C)cccc2)c1ccc(cc1)OC

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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 C40H41ClN2O5 MW 665.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H41ClN2O5/c1-5-47-37-23-28(14-19-36(37)48-24-26-10-15-30(41)16-11-26)40-39-33(21-29(22-35(39)44)27-12-17-31(46-4)18-13-27)42-32-8-6-7-9-34(32)43(40)38(45)20-25(2)3/h6-19,23,25,29,40,44H,5,20-22,24H2,1-4H3
InChIKey
NDLYFFBASGUQQN-UHFFFAOYSA-N
Synonyms

1(11(4((4chlorobenzyl)oxy)3ethoxyphenyl)1hydroxy3(4methoxyphenyl)23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)3methylbutan1one
CCOc1cc(ccc1OCc1ccc(cc1)Cl)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)CC(C)C)cccc2)c1ccc(cc1)OC
MFCD03032605
STK004177
ZINC000150397787
ZINC000150397794

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Available files

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