Vitas-M small molecule compound
1-({5-[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methyl)azepane
Catalog ID
STK693101
SMILES COc1c(CC2ON=C(C2)CN2CCCCCC2)cc(c2c1OCO2)OC
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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 C20H28N2O5 MW 376.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2O5/c1-23-17-10-14(18(24-2)20-19(17)25-13-26-20)9-16-11-15(21-27-16)12-22-7-5-3-4-6-8-22/h10,16H,3-9,11-13H2,1-2H3InChIKey
VNDUAOKBTMOHMM-UHFFFAOYSA-NSynonyms
1((5((47dimethoxy13benzodioxol5yl)methyl)45dihydro12oxazol3yl)methyl)azepane
3(azepan1ylmethyl)5((47dimethoxy13benzodioxol5yl)methyl)45dihydro12oxazole
COC1=C2C(=C(C(=C1)CC3CC(=NO3)CN4CCCCCC4)OC)OCO2
InChI=1SC20H28N2O5c123171014(18(242)2019(17)25132620)9161115(212716)122275346822h1016H391113H212H3
MFCD10039183
ZINC000015085876
ZINC000015085878
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