Vitas-M small molecule compound
11-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK403692
SMILES COc1cccc(c1O)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 C27H26N2O3 MW 426.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O3/c1-16-10-12-17(13-11-16)18-14-22-25(23(30)15-18)26(19-6-5-9-24(32-2)27(19)31)29-21-8-4-3-7-20(21)28-22/h3-13,18,26,28-29,31H,14-15H2,1-2H3InChIKey
XYKAAHIVTFOQNE-UHFFFAOYSA-NSynonyms
11(2hydroxy3methoxyphenyl)3(4methylphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(2hydroxy3methoxyphenyl)9(4methylphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=C(C(=CC=C5)OC)O)C(=O)C2
InChI=1SC27H26N2O3c116101217(131116)18142225(23(30)1518)26(1965924(322)27(19)31)2921843720(21)2822h3131826282931H1415H212H3
MFCD03632408
ZINC000000815892
ZINC000000815895
Check stock
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Check stock on Vitas-MAvailable files
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