Vitas-M small molecule compound
11-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK054036
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(cc1)Br
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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 C27H25BrN2O3 MW 505.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25BrN2O3/c1-32-24-12-9-17(15-25(24)33-2)18-13-22-26(23(31)14-18)27(16-7-10-19(28)11-8-16)30-21-6-4-3-5-20(21)29-22/h3-12,15,18,27,29-30H,13-14H2,1-2H3InChIKey
BRUZQMHBHJZKLJ-UHFFFAOYSA-NSynonyms
11(4bromophenyl)3(34dimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4bromophenyl)9(34dimethoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(C=C5)Br)C(=O)C2)OC
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc(cc1)Br
InChI=1SC27H25BrN2O3c1322412917(1525(24)332)18132226(23(31)1418)27(1671019(28)11816)3021643520(21)2922h3121518272930H1314H212H3
MFCD02104443
STK054036
ZINC000000710606
ZINC000000710609
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