Vitas-M small molecule compound

1-{5-[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-(tetrahydro-2H-pyran-4-ylmethyl)methanamine

Catalog ID
STK693096
SMILES COc1c(CC2ON=C(C2)CNCC2CCOCC2)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 C20H28N2O6 MW 392.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2O6/c1-23-17-8-14(18(24-2)20-19(17)26-12-27-20)7-16-9-15(22-28-16)11-21-10-13-3-5-25-6-4-13/h8,13,16,21H,3-7,9-12H2,1-2H3
InChIKey
FNEJDCARRWGSAT-UHFFFAOYSA-N
Synonyms

1(5((47dimethoxy13benzodioxol5yl)methyl)45dihydro12oxazol3yl)N(tetrahydro2Hpyran4ylmethyl)methanamine
COC1=C2C(=C(C(=C1)CC3CC(=NO3)CNCC4CCOCC4)OC)OCO2
InChI=1SC20H28N2O6c12317814(18(242)2019(17)26122720)716915(222816)1121101335256413h8131621H37912H212H3
MFCD10039178
N((5((47dimethoxy13benzodioxol5yl)methyl)45dihydro12oxazol3yl)methyl)1(oxan4yl)methanamine
ZINC000015085856
ZINC000015085858

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.