Vitas-M small molecule compound

3-(3,4-dimethoxyphenyl)-11-[3-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK060712
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cccc(c1)C(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 C28H25F3N2O3 MW 494.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25F3N2O3/c1-35-24-11-10-16(15-25(24)36-2)18-13-22-26(23(34)14-18)27(33-21-9-4-3-8-20(21)32-22)17-6-5-7-19(12-17)28(29,30)31/h3-12,15,18,27,32-33H,13-14H2,1-2H3
InChIKey
IFNVUMYGUKTOPZ-UHFFFAOYSA-N
Synonyms

3(34dimethoxyphenyl)11(3(trifluoromethyl)phenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(34DIMETHOXYPHENYL)11(3(TRIFLUOROMETHYL)PHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
9(34dimethoxyphenyl)6(3(trifluoromethyl)phenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=CC=C5)C(F)(F)F)C(=O)C2)OC
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cccc(c1)C(F)(F)F
InChI=1SC28H25F3N2O3c13524111016(1525(24)362)18132226(23(34)1418)27(3321943820(21)3222)1765719(1217)28(2930)31h3121518273233H1314H212H3
MFCD02104306
STK060712
ZINC000000883157
ZINC000000883164

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Available files

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