Vitas-M small molecule compound
11-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK053035
SMILES COc1cc(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 C26H22BrClN2O3 MW 525.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22BrClN2O3/c1-33-23-13-16(10-18(27)26(23)32)25-24-21(29-19-4-2-3-5-20(19)30-25)11-15(12-22(24)31)14-6-8-17(28)9-7-14/h2-10,13,15,25,29-30,32H,11-12H2,1H3InChIKey
IZHBWZBKHCKFGO-UHFFFAOYSA-NSynonyms
11(3bromo4hydroxy5methoxyphenyl)3(4chlorophenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3bromo4hydroxy5methoxyphenyl)9(4chlorophenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
COC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC5=CC=CC=C5N2)Br)O
COc1cc(cc(c1O)Br)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl
InChI=1SC26H22BrClN2O3c133231316(1018(27)26(23)32)252421(2919423520(19)3025)1115(1222(24)31)146817(28)9714h210131525293032H1112H21H3
MFCD01874244
STK053035
ZINC000004065522
ZINC000004065534
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