Vitas-M small molecule compound
11-(4-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Catalog ID
STK009001
SMILES COc1ccc(cc1)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 C27H26N2O2 MW 410.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O2/c1-17-7-9-18(10-8-17)20-15-24-26(25(30)16-20)27(19-11-13-21(31-2)14-12-19)29-23-6-4-3-5-22(23)28-24/h3-14,20,27-29H,15-16H2,1-2H3InChIKey
KYWJHTLSRBWYHA-UHFFFAOYSA-NSynonyms
11(4methoxyphenyl)3(4methylphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(4methoxyphenyl)9(4methylphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC=C(C=C5)OC)C(=O)C2
COc1ccc(cc1)C1Nc2ccccc2NC2=C1C(=O)CC(C2)c1ccc(cc1)C
InChI=1SC27H26N2O2c1177918(10817)20152426(25(30)1620)27(19111321(312)141219)2923643522(23)2824h314202729H1516H212H3
MFCD03489352
STK009001
ZINC000001077592
ZINC000001077599
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