Vitas-M small molecule compound
11-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK003478
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(Br)c(c(c1)OC)O
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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 C27H25BrN2O4 MW 521.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25BrN2O4/c1-33-18-9-7-15(8-10-18)16-12-22-25(23(31)13-16)26(30-21-6-4-3-5-20(21)29-22)17-11-19(28)27(32)24(14-17)34-2/h3-11,14,16,26,29-30,32H,12-13H2,1-2H3InChIKey
QSGYSFROCRAIND-UHFFFAOYSA-NSynonyms
312622-24-511(3bromo4hydroxy5methoxyphenyl)3(4methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
11(3BROMO4HYDROXY5METHOXYPHENYL)3(4METHOXYPHENYL)234TRIHYDRO5H10H11HBENZO(B)BENZO(21F)14DIAZEPIN1ONE
312622245
6(3bromo4hydroxy5methoxyphenyl)9(4methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C(=C5)Br)O)OC)C(=O)C2
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1cc(Br)c(c(c1)OC)O
InChI=1SC27H25BrN2O4c133189715(81018)16122225(23(31)1316)26(3021643520(21)2922)171119(28)27(32)24(1417)342h311141626293032H1213H212H3
MFCD01825154
STK003478
ZINC000000681739
ZINC000000681742
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