Vitas-M small molecule compound
11-(2-bromo-4,5-dimethoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403369
SMILES COc1cc(Br)c(cc1OC)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)C
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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 C28H27BrN2O3 MW 519.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27BrN2O3/c1-16-8-10-17(11-9-16)18-12-23-27(24(32)13-18)28(31-22-7-5-4-6-21(22)30-23)19-14-25(33-2)26(34-3)15-20(19)29/h4-11,14-15,18,28,30-31H,12-13H2,1-3H3InChIKey
IYBVGXTVAJUOFF-UHFFFAOYSA-NSynonyms
11(2bromo45dimethoxyphenyl)3(4methylphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(2bromo45dimethoxyphenyl)9(4methylphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C=C5Br)OC)OC)C(=O)C2
InChI=1SC28H27BrN2O3c11681017(11916)18122327(24(32)1318)28(3122754621(22)3023)191425(332)26(343)1520(19)29h411141518283031H1213H213H3
MFCD03489191
ZINC000001077041
ZINC000001077060
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