Vitas-M small molecule compound

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

Catalog ID
STK565163
SMILES CCCCCC(=O)N1c2ccccc2N=C2C(=C(O)CC(C2)c2ccc(cc2)C(F)(F)F)C1c1ccc(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 C33H33F3N2O3 MW 562.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33F3N2O3/c1-3-4-5-10-30(40)38-28-9-7-6-8-26(28)37-27-19-23(21-11-15-24(16-12-21)33(34,35)36)20-29(39)31(27)32(38)22-13-17-25(41-2)18-14-22/h6-9,11-18,23,32,39H,3-5,10,19-20H2,1-2H3
InChIKey
OQGAZHXXQCDPQH-UHFFFAOYSA-N
Synonyms

1(1hydroxy11(4methoxyphenyl)3(4(trifluoromethyl)phenyl)23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)hexan1one
MFCD03819110
ZINC000102648575
ZINC000102648581

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Available files

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