Vitas-M small molecule compound
11-(3-hydroxy-4-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK034914
SMILES COc1ccc(cc1O)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/c1-16-7-9-17(10-8-16)19-13-22-26(24(31)15-19)27(18-11-12-25(32-2)23(30)14-18)29-21-6-4-3-5-20(21)28-22/h3-12,14,19,27-30H,13,15H2,1-2H3InChIKey
ZUFFGJVOIPXCQQ-UHFFFAOYSA-NSynonyms
11(3hydroxy4methoxyphenyl)3(4methylphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3hydroxy4methoxyphenyl)9(4methylphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC(=C(C=C5)OC)O)C(=O)C2
COc1ccc(cc1O)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)C
InChI=1SC27H26N2O3c1167917(10816)19132226(24(31)1519)27(18111225(322)23(30)1418)2921643520(21)2822h31214192730H1315H212H3
MFCD03489363
STK034914
ZINC000000815818
ZINC000000815821
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