Vitas-M small molecule compound

2,4,6,8-tetrakis(4-methoxyphenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one

Catalog ID
STK091052
SMILES COc1ccc(cc1)C1NC(c2ccc(cc2)OC)C2C(=O)C1C(NC2c1ccc(cc1)OC)c1ccc(cc1)OC

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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 C35H36N2O5 MW 564.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36N2O5/c1-39-25-13-5-21(6-14-25)31-29-32(22-7-15-26(40-2)16-8-22)37-34(24-11-19-28(42-4)20-12-24)30(35(29)38)33(36-31)23-9-17-27(41-3)18-10-23/h5-20,29-34,36-37H,1-4H3
InChIKey
SJYGOTYPICEFKJ-UHFFFAOYSA-N
Synonyms

(1r2R4R5s6S8S)2468tetrakis(4methoxyphenyl)37diazabicyclo(331)nonan9one
2468tetrakis(4methoxyphenyl)37diazabicyclo(331)nonan9one
COC1=CC=C(C=C1)C2C3C(NC(C(C3=O)C(N2)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC
COc1ccc(cc1)C1NC(c2ccc(cc2)OC)C2C(=O)C1C(NC2c1ccc(cc1)OC)c1ccc(cc1)OC
InChI=1SC35H36N2O5c1392513521(61425)312932(2271526(402)16822)3734(24111928(424)201224)30(35(29)38)33(3631)2391727(413)181023h52029343637H14H3
MFCD00317737
STK091052
ZINC000101118645
ZINC000239203450

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Available files

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