Vitas-M small molecule compound
3-{4-[(4-chlorophenyl)amino]-6-ethoxy-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
STK683282
SMILES CCOc1nc(Nc2ccc(cc2)Cl)nc(n1)N1CC2CC(C1)c1n(C2)c(=O)ccc1
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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 C22H23ClN6O2 MW 438.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN6O2/c1-2-31-22-26-20(24-17-8-6-16(23)7-9-17)25-21(27-22)28-11-14-10-15(13-28)18-4-3-5-19(30)29(18)12-14/h3-9,14-15H,2,10-13H2,1H3,(H,24,25,26,27)InChIKey
OMDMZUZTPICION-UHFFFAOYSA-NSynonyms
3(4((4chlorophenyl)amino)6ethoxy135triazin2yl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CCOC1=NC(=NC(=N1)NC2=CC=C(C=C2)Cl)N3CC4CC(C3)C5=CC=CC(=O)N5C4
InChI=1SC22H23ClN6O2c1231222620(24178616(23)7917)2521(2722)2811141015(1328)1843519(30)29(18)1214h391415H21013H21H3(H24252627)
MFCD05257276
ZINC000015319086
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