Vitas-M small molecule compound

1-[11-(4-ethoxyphenyl)-1-hydroxy-3,3-dimethyl-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-2,2,2-trifluoroethanone

Catalog ID
STK596907
SMILES CCOc1ccc(cc1)C1C2=C(O)CC(CC2=Nc2c(N1C(=O)C(F)(F)F)cccc2)(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 C25H25F3N2O3 MW 458.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25F3N2O3/c1-4-33-16-11-9-15(10-12-16)22-21-18(13-24(2,3)14-20(21)31)29-17-7-5-6-8-19(17)30(22)23(32)25(26,27)28/h5-12,22,31H,4,13-14H2,1-3H3
InChIKey
IDWZOJHSJUIOBE-UHFFFAOYSA-N
Synonyms

1(11(4ethoxyphenyl)1hydroxy33dimethyl23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)222trifluoroethanone
MFCD07209499
ZINC000102622043
ZINC000102622046

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Available files

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