Vitas-M small molecule compound
1-[11-{4-[(4-chlorobenzyl)oxy]-3-ethoxyphenyl}-3-(4-chlorophenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]hexan-1-one
Catalog ID
STK074618
SMILES CCCCCC(=O)N1C(c2ccc(c(c2)OCC)OCc2ccc(cc2)Cl)C2=C(O)CC(CC2=Nc2c1cccc2)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 C40H40Cl2N2O4 MW 683.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H40Cl2N2O4/c1-3-5-6-11-38(46)44-34-10-8-7-9-32(34)43-33-22-29(27-14-19-31(42)20-15-27)23-35(45)39(33)40(44)28-16-21-36(37(24-28)47-4-2)48-25-26-12-17-30(41)18-13-26/h7-10,12-21,24,29,40,45H,3-6,11,22-23,25H2,1-2H3InChIKey
MXBKJDWRKPKLPG-UHFFFAOYSA-NSynonyms
1(11(4((4chlorobenzyl)oxy)3ethoxyphenyl)3(4chlorophenyl)1hydroxy23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)hexan1one
CCCCCC(=O)N1C(c2ccc(c(c2)OCC)OCc2ccc(cc2)Cl)C2=C(O)CC(CC2=Nc2c1cccc2)c1ccc(cc1)Cl
MFCD03372658
STK074618
ZINC000150410936
ZINC000150410955
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