Vitas-M small molecule compound
1-{4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-cyclohexylethanone
Catalog ID
STL091698
SMILES O=C(N1CCC(CC1)c1onc(n1)c1ccc2c(c1)OCO2)CC1CCCCC1
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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 C22H27N3O4 MW 397.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O4/c26-20(12-15-4-2-1-3-5-15)25-10-8-16(9-11-25)22-23-21(24-29-22)17-6-7-18-19(13-17)28-14-27-18/h6-7,13,15-16H,1-5,8-12,14H2InChIKey
BRADCYKWMSNGIL-UHFFFAOYSA-NSynonyms
1(4(3(13benzodioxol5yl)124oxadiazol5yl)piperidin1yl)2cyclohexylethanone
C1CCC(CC1)CC(=O)N2CCC(CC2)C3=NC(=NO3)C4=CC5=C(C=C4)OCO5
InChI=1SC22H27N3O4c2620(12154213515)2510816(91125)222321(242922)17671819(1317)28142718h67131516H1581214H2
MFCD18786100
ZINC000067205833
ZINC67205833
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