Vitas-M small molecule compound
11-(3-bromo-5-ethoxy-4-hydroxyphenyl)-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK026091
SMILES CCOc1cc(cc(c1O)Br)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl
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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 C27H24BrClN2O3 MW 539.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24BrClN2O3/c1-2-34-24-14-17(11-19(28)27(24)33)26-25-22(30-20-5-3-4-6-21(20)31-26)12-16(13-23(25)32)15-7-9-18(29)10-8-15/h3-11,14,16,26,30-31,33H,2,12-13H2,1H3InChIKey
USFZCJNMTIVBHL-UHFFFAOYSA-NSynonyms
11(3bromo5ethoxy4hydroxyphenyl)3(4chlorophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3bromo5ethoxy4hydroxyphenyl)9(4chlorophenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC5=CC=CC=C5N2)Br)O
CCOc1cc(cc(c1O)Br)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl
InChI=1SC27H24BrClN2O3c1234241417(1119(28)27(24)33)262522(3020534621(20)3126)1216(1323(25)32)157918(29)10815h311141626303133H21213H21H3
MFCD01874731
STK026091
ZINC000004077798
ZINC000004077846
ZINC04077836
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