Vitas-M small molecule compound
3-(4-fluorophenyl)-10-hexanoyl-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK143056
SMILES CCCCCC(=O)N1c2ccccc2NC2=C(C1c1ccc(cc1)C(F)(F)F)C(=O)CC(C2)c1ccc(cc1)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 C32H30F4N2O2 MW 550.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30F4N2O2/c1-2-3-4-9-29(40)38-27-8-6-5-7-25(27)37-26-18-22(20-12-16-24(33)17-13-20)19-28(39)30(26)31(38)21-10-14-23(15-11-21)32(34,35)36/h5-8,10-17,22,31,37H,2-4,9,18-19H2,1H3InChIKey
CPFRJNPYFNWWPH-UHFFFAOYSA-NSynonyms
3(4fluorophenyl)10hexanoyl11(4(trifluoromethyl)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
9(4fluorophenyl)5hexanoyl6(4(trifluoromethyl)phenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC=C(C=C3)F)NC4=CC=CC=C41)C5=CC=C(C=C5)C(F)(F)F
InChI=1SC32H30F4N2O2c1234929(40)3827865725(27)37261822(20121624(33)171320)1928(39)30(26)31(38)21101423(151121)32(3435)36h581017223137H2491819H21H3
MFCD02375498
ZINC000098045522
ZINC000098045525
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