Vitas-M small molecule compound
1-(azepan-1-yl)-2-{2-[5-(4-nitrophenyl)-1,2,4-oxadiazol-3-yl]phenoxy}ethanone
Catalog ID
STK896686
SMILES O=C(N1CCCCCC1)COc1ccccc1c1noc(n1)c1ccc(cc1)[N+](=O)[O-]
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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 C22H22N4O5 MW 422.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O5/c27-20(25-13-5-1-2-6-14-25)15-30-19-8-4-3-7-18(19)21-23-22(31-24-21)16-9-11-17(12-10-16)26(28)29/h3-4,7-12H,1-2,5-6,13-15H2InChIKey
SZXOPTWCNDYZOT-UHFFFAOYSA-NSynonyms
1(azepan1yl)2(2(5(4nitrophenyl)124oxadiazol3yl)phenoxy)ethanone
C1CCCN(CC1)C(=O)COC2=CC=CC=C2C3=NOC(=N3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H22N4O5c2720(251351261425)153019843718(19)212322(312421)1691117(121016)26(28)29h34712H12561315H2
MFCD18172689
O=C(N1CCCCCC1)COc1ccccc1c1noc(n1)c1ccc(cc1)(N+)(=O)(O)
ZINC000040488376
ZINC40488376
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