Vitas-M small molecule compound

3,3-dimethyl-10-(phenylacetyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Catalog ID
STK076399
SMILES COc1c(OC)cc(cc1OC)C1C2=C(Nc3c(N1C(=O)Cc1ccccc1)cccc3)CC(CC2=O)(C)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 C32H34N2O5 MW 526.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O5/c1-32(2)18-23-29(25(35)19-32)30(21-16-26(37-3)31(39-5)27(17-21)38-4)34(24-14-10-9-13-22(24)33-23)28(36)15-20-11-7-6-8-12-20/h6-14,16-17,30,33H,15,18-19H2,1-5H3
InChIKey
WZXVINGHMQCOCL-UHFFFAOYSA-N
Synonyms
312621-25-3
312621253
33dimethyl10(2phenylacetyl)11(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
33dimethyl10(phenylacetyl)11(345trimethoxyphenyl)23451011hexahydro1Hdibenzo(be)(14)diazepin1one
99dimethyl5(2phenylacetyl)6(345trimethoxyphenyl)681011tetrahydrobenzo(b)(14)benzodiazepin7one
CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)CC4=CC=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)C1)C
COc1c(OC)cc(cc1OC)C1C2=C(Nc3c(N1C(=O)Cc1ccccc1)cccc3)CC(CC2=O)(C)C
InChI=1SC32H34N2O5c132(2)182329(25(35)1932)30(211626(373)31(395)27(1721)384)34(24141091322(24)3323)28(36)1520117681220h61416173033H151819H215H3
MFCD01471045
STK076399
ZINC000018123069
ZINC000018123071

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Available files

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