Vitas-M small molecule compound

11-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK403707
SMILES CCOc1c(Br)cc(cc1OC)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 C29H29BrN2O3 MW 533.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrN2O3/c1-4-35-29-21(30)13-20(16-26(29)34-3)28-27-24(31-22-7-5-6-8-23(22)32-28)14-19(15-25(27)33)18-11-9-17(2)10-12-18/h5-13,16,19,28,31-32H,4,14-15H2,1-3H3
InChIKey
XMAQMILMHKFXBF-UHFFFAOYSA-N
Synonyms

11(3bromo4ethoxy5methoxyphenyl)3(4methylphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(3bromo4ethoxy5methoxyphenyl)9(4methylphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=C(C=C(C=C1Br)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)C)NC5=CC=CC=C5N2)OC
InChI=1SC29H29BrN2O3c14352921(30)1320(1626(29)343)282724(3122756823(22)3228)1419(1525(27)33)1811917(2)101218h5131619283132H41415H213H3
MFCD03632426
ZINC000053360245
ZINC000053360249

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Available files

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