Vitas-M small molecule compound
1-{5-[(6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}-N-[3-(trifluoromethyl)benzyl]methanamine
Catalog ID
STK691303
SMILES COc1c(CC2ON=C(C2)CNCc2cccc(c2)C(F)(F)F)cc2c(c1OC)OCO2
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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 C22H23F3N2O5 MW 452.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23F3N2O5/c1-28-19-14(8-18-20(21(19)29-2)31-12-30-18)7-17-9-16(27-32-17)11-26-10-13-4-3-5-15(6-13)22(23,24)25/h3-6,8,17,26H,7,9-12H2,1-2H3InChIKey
LNILFWUOUPSEQT-UHFFFAOYSA-NSynonyms
1(5((67dimethoxy13benzodioxol5yl)methyl)45dihydro12oxazol3yl)N((3(trifluoromethyl)phenyl)methyl)methanamine
1(5((67dimethoxy13benzodioxol5yl)methyl)45dihydro12oxazol3yl)N(3(trifluoromethyl)benzyl)methanamine
COC1=C(C2=C(C=C1CC3CC(=NO3)CNCC4=CC(=CC=C4)C(F)(F)F)OCO2)OC
InChI=1SC22H23F3N2O5c1281914(81820(21(19)292)31123018)717916(273217)1126101343515(613)22(2324)25h3681726H7912H212H3
MFCD09064303
ZINC000012418041
ZINC000012418044
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