Vitas-M small molecule compound

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

Catalog ID
STL047488
SMILES CCCCCC(=O)N1c2ccccc2N=C2C(=C(O)CC(C2)c2ccc(cc2)OC)C1c1cccc(c1)F

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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 C32H33FN2O3 MW 512.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33FN2O3/c1-3-4-5-13-30(37)35-28-12-7-6-11-26(28)34-27-19-23(21-14-16-25(38-2)17-15-21)20-29(36)31(27)32(35)22-9-8-10-24(33)18-22/h6-12,14-18,23,32,36H,3-5,13,19-20H2,1-2H3
InChIKey
KAWNRLDCAWYLRS-UHFFFAOYSA-N
Synonyms

1(11(3fluorophenyl)1hydroxy3(4methoxyphenyl)23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)hexan1one
MFCD03797729
ZINC000102882585
ZINC000102882592

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Available files

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