Vitas-M small molecule compound
2-{[6-(azepan-1-ylmethyl)-4-oxo-4H-pyran-3-yl]oxy}-N-(4-chlorobenzyl)acetamide
Catalog ID
STL244126
SMILES O=C(NCc1ccc(cc1)Cl)COc1coc(cc1=O)CN1CCCCCC1
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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 C21H25ClN2O4 MW 404.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN2O4/c22-17-7-5-16(6-8-17)12-23-21(26)15-28-20-14-27-18(11-19(20)25)13-24-9-3-1-2-4-10-24/h5-8,11,14H,1-4,9-10,12-13,15H2,(H,23,26)InChIKey
AYWUYABGJQTVNP-UHFFFAOYSA-NSynonyms
1374537-03-71374537037
2((6(azepan1ylmethyl)4oxo4Hpyran3yl)oxy)N(4chlorobenzyl)acetamide
2(6(azepan1ylmethyl)4oxopyran3yl)oxyN((4chlorophenyl)methyl)acetamide
C1CCCN(CC1)CC2=CC(=O)C(=CO2)OCC(=O)NCC3=CC=C(C=C3)Cl
InChI=1SC21H25ClN2O4c22177516(6817)122321(26)152820142718(1119(20)25)1324931241024h581114H14910121315H2(H2326)
MFCD22204631
ZINC000072406412
ZINC72406412
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