Vitas-M small molecule compound

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

Catalog ID
STK002727
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(Br)ccc1F

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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 C27H24BrFN2O3 MW 523.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24BrFN2O3/c1-33-24-10-7-15(13-25(24)34-2)16-11-22-26(23(32)12-16)27(18-14-17(28)8-9-19(18)29)31-21-6-4-3-5-20(21)30-22/h3-10,13-14,16,27,30-31H,11-12H2,1-2H3
InChIKey
JWVOWUVGLKVKNB-UHFFFAOYSA-N
Synonyms

11(5bromo2fluorophenyl)3(34dimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
3(34DIMETHOXYPHENYL)11(5BROMO2FLUOROPHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
6(5bromo2fluorophenyl)9(34dimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=C(C=CC(=C5)Br)F)C(=O)C2)OC
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(Br)ccc1F
InChI=1SC27H24BrFN2O3c1332410715(1325(24)342)16112226(23(32)1216)27(181417(28)8919(18)29)3121643520(21)3022h310131416273031H1112H212H3
MFCD02104461
STK002727
ZINC000008856968
ZINC000008857538

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Available files

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