Vitas-M small molecule compound

11-[5-(4-bromophenyl)furan-2-yl]-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STL170793
SMILES Brc1ccc(cc1)c1ccc(o1)C1C2=C(Nc3c(N1C(=O)C(F)(F)F)cccc3)CC(CC2=O)(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 C27H22BrF3N2O3 MW 559.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22BrF3N2O3/c1-26(2)13-18-23(20(34)14-26)24(22-12-11-21(36-22)15-7-9-16(28)10-8-15)33(25(35)27(29,30)31)19-6-4-3-5-17(19)32-18/h3-12,24,32H,13-14H2,1-2H3
InChIKey
OEPZZARIWJQQPW-UHFFFAOYSA-N
Synonyms

11(5(4bromophenyl)furan2yl)33dimethyl10(trifluoroacetyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(5(4bromophenyl)furan2yl)99dimethyl5(222trifluoroacetyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)C(F)(F)F)C4=CC=C(O4)C5=CC=C(C=C5)Br)C(=O)C1)C
InChI=1SC27H22BrF3N2O3c126(2)131823(20(34)1426)24(22121121(3622)157916(28)10815)33(25(35)27(2930)31)19643517(19)3218h3122432H1314H212H3
MFCD01417589
ZINC000008456520
ZINC000008456522

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Available files

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