Vitas-M small molecule compound

3-[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

Catalog ID
STK764994
SMILES O=c1cccc2n1CC1CN(CC2C1)c1nc(nc(n1)N1CCOCC1)N1CCOCC1

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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 C22H29N7O3 MW 439.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N7O3/c30-19-3-1-2-18-17-12-16(14-29(18)19)13-28(15-17)22-24-20(26-4-8-31-9-5-26)23-21(25-22)27-6-10-32-11-7-27/h1-3,16-17H,4-15H2
InChIKey
IPXUFTHQKWLJBX-UHFFFAOYSA-N
Synonyms

3(46di(morpholin4yl)135triazin2yl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
C1COCCN1C2=NC(=NC(=N2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)N6CCOCC6
InChI=1SC22H29N7O3c301931218171216(1429(18)19)1328(1517)222420(2648319526)2321(2522)276103211727h131617H415H2
MFCD02579005
ZINC000100102926

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Available files

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