Vitas-M small molecule compound
3-(3,4-dimethoxyphenyl)-11-[4-(trifluoromethoxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK364210
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(cc1)OC(F)(F)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 C28H25F3N2O4 MW 510.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25F3N2O4/c1-35-24-12-9-17(15-25(24)36-2)18-13-22-26(23(34)14-18)27(33-21-6-4-3-5-20(21)32-22)16-7-10-19(11-8-16)37-28(29,30)31/h3-12,15,18,27,32-33H,13-14H2,1-2H3InChIKey
ALCGKBUQGAOIMO-UHFFFAOYSA-NSynonyms
3(34dimethoxyphenyl)11(4(trifluoromethoxy)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(34DIMETHOXYPHENYL)11(4(TRIFLUOROMETHOXY)PHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
9(34dimethoxyphenyl)6(4(trifluoromethoxy)phenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(C=C5)OC(F)(F)F)C(=O)C2)OC
InChI=1SC28H25F3N2O4c1352412917(1525(24)362)18132226(23(34)1418)27(3321643520(21)3222)1671019(11816)3728(2930)31h3121518273233H1314H212H3
MFCD02105011
ZINC000004083641
ZINC000004083649
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