Vitas-M small molecule compound

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

Catalog ID
STK403446
SMILES CCOc1ccc(cc1OC)C1CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccc2c(c1)OCO2

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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 C29H28N2O5 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O5/c1-3-34-24-10-8-17(14-26(24)33-2)19-12-22-28(23(32)13-19)29(31-21-7-5-4-6-20(21)30-22)18-9-11-25-27(15-18)36-16-35-25/h4-11,14-15,19,29-31H,3,12-13,16H2,1-2H3
InChIKey
UGVGOYZECDSZMY-UHFFFAOYSA-N
Synonyms

11(13benzodioxol5yl)3(4ethoxy3methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
6(13benzodioxol5yl)9(4ethoxy3methoxyphenyl)56891011hexahydrobenzo(b)(14)benzodiazepin7one
CCOC1=C(C=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6)C(=O)C2)OC
InChI=1SC29H28N2O5c13342410817(1426(24)332)19122228(23(32)1319)29(3121754620(21)3022)189112527(1518)36163525h4111415192931H3121316H212H3
MFCD03489281
ZINC000001077303
ZINC000001077311

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Available files

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