Vitas-M small molecule compound

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

Catalog ID
STK064756
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccc(cc1)OC)C(=O)c1ccccc1

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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 C34H30N2O4 MW 530.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30N2O4/c1-39-26-16-12-22(13-17-26)25-20-29-32(31(37)21-25)33(23-14-18-27(40-2)19-15-23)36(30-11-7-6-10-28(30)35-29)34(38)24-8-4-3-5-9-24/h3-19,25,33,35H,20-21H2,1-2H3
InChIKey
CWXZNCVZZWQDDG-UHFFFAOYSA-N
Synonyms

10benzoyl311bis(4methoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
311bis(4methoxyphenyl)10(phenylcarbonyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
311BIS(4METHOXYPHENYL)1HYDROXY(234TRIHYDRO11HBENZO(B)BENZO(12E)14DIAZEPIN10YL)PHENYLKETONE
5benzoyl69bis(4methoxyphenyl)891011tetrahydro6Hbenzo(b)(14)benzodiazepin7one
COC1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C5=CC=CC=C5)C6=CC=C(C=C6)OC)C(=O)C2
COc1ccc(cc1)C1CC(=O)C2=C(C1)Nc1ccccc1N(C2c1ccc(cc1)OC)C(=O)c1ccccc1
InChI=1SC34H30N2O4c13926161222(131726)25202932(31(37)2125)33(23141827(402)191523)36(3011761028(30)3529)34(38)248435924h319253335H2021H212H3
MFCD01960336
STK064756
ZINC000001458916
ZINC000001458919

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.