Vitas-M small molecule compound

1-{11-[3-(benzyloxy)phenyl]-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}propan-1-one

Catalog ID
STK560228
SMILES CCC(=O)N1C(c2cccc(c2)OCc2ccccc2)C2=C(O)CC(CC2=Nc2c1cccc2)(C)C

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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 C31H32N2O3 MW 480.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O3/c1-4-28(35)33-26-16-9-8-15-24(26)32-25-18-31(2,3)19-27(34)29(25)30(33)22-13-10-14-23(17-22)36-20-21-11-6-5-7-12-21/h5-17,30,34H,4,18-20H2,1-3H3
InChIKey
MMYLSAWIYYFTEG-UHFFFAOYSA-N
Synonyms

1(11(3(benzyloxy)phenyl)1hydroxy33dimethyl23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)propan1one
MFCD03799560
ZINC000102642509
ZINC000102642512

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Available files

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