Vitas-M small molecule compound
N-[2-(4-hexyl-2-methyl-5-oxotetrahydrofuran-2-yl)-2-oxoethyl]pyridin-2-aminium (non-preferred name)
Catalog ID
STL329116
SMILES CCCCCCC1CC(OC1=O)(C)C(=O)C[NH2+]c1ccccn1
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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 C18H27N2O3 MW 319.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H26N2O3/c1-3-4-5-6-9-14-12-18(2,23-17(14)22)15(21)13-20-16-10-7-8-11-19-16/h7-8,10-11,14H,3-6,9,12-13H2,1-2H3,(H,19,20)/p+1InChIKey
PDPLZGMSPMHKOY-UHFFFAOYSA-OSynonyms
(2(4HEXYL2METHYL5OXOOXOLAN2YL)2OXOETHYL)PYRIDIN2YLAZANIUM
2((2((2R4R)4HEXYL2METHYL5OXOTETRAHYDROFURAN2YL)2OXOETHYL)AMINO)PYRIDINIUM(NONPREFERREDNAME)
2((2((2S4S)4HEXYL2METHYL5OXOTETRAHYDROFURAN2YL)2OXOETHYL)AMINO)PYRIDINIUM(NONPREFERREDNAME)
3hexyl5methyl5(2(pyridin1ium2ylamino)acetyl)oxolan2one
CCCCCCC1CC(OC1=O)(C)C(=O)C(NH2+)c1ccccn1
CCCCCCC1CC(OC1=O)(C)C(=O)CNC2=CC=CC=(NH+)2
InChI=1SC18H26N2O3c134569141218(22317(14)22)15(21)1320161078111916h78101114H3691213H212H3(H1920)p+1
MFCD02240963
N(2(4hexyl2methyl5oxotetrahydrofuran2yl)2oxoethyl)pyridin2aminium(nonpreferredname)
ZINC000001901953
ZINC000001901956
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