Vitas-M small molecule compound

2,2,2-trifluoro-1-[1-hydroxy-3-(4-methoxyphenyl)-8-methyl-11-(thiophen-2-yl)-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethanone

Catalog ID
STK562913
SMILES COc1ccc(cc1)C1CC(=C2C(=Nc3ccc(cc3N(C2c2cccs2)C(=O)C(F)(F)F)C)C1)O

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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 C27H23F3N2O3S MW 512.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23F3N2O3S/c1-15-5-10-19-21(12-15)32(26(34)27(28,29)30)25(23-4-3-11-36-23)24-20(31-19)13-17(14-22(24)33)16-6-8-18(35-2)9-7-16/h3-12,17,25,33H,13-14H2,1-2H3
InChIKey
RSRBSWYINYTNAS-UHFFFAOYSA-N
Synonyms

222trifluoro1(1hydroxy3(4methoxyphenyl)8methyl11(thiophen2yl)23411tetrahydro10Hdibenzo(be)(14)diazepin10yl)ethanone
MFCD04079667
ZINC000102646023
ZINC000102646028

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Available files

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