Vitas-M small molecule compound
methyl 3-(1,3-benzodioxol-5-yl)-3-[3-hydroxy-5-(4-methoxybenzyl)-1H-pyrazol-4-yl]propanoate
Catalog ID
STL541783
SMILES COC(=O)CC(c1c([nH]nc1O)Cc1ccc(cc1)OC)c1ccc2c(c1)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 C22H22N2O6 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O6/c1-27-15-6-3-13(4-7-15)9-17-21(22(26)24-23-17)16(11-20(25)28-2)14-5-8-18-19(10-14)30-12-29-18/h3-8,10,16H,9,11-12H2,1-2H3,(H2,23,24,26)InChIKey
BNHRFWBWCOFXTQ-UHFFFAOYSA-NSynonyms
1574401-66-31574401663
71827167
InChI=1SC22H22N2O6c127156313(4715)91721(22(26)242317)16(1120(25)282)14581819(1014)30122918h381016H91112H212H3(H2232426)
methyl3(13benzodioxol5yl)3(3((4methoxyphenyl)methyl)5oxo12dihydropyrazol4yl)propanoate
methyl3(13benzodioxol5yl)3(3hydroxy5(4methoxybenzyl)1Hpyrazol4yl)propanoate
METHYL3(BENZO(D)(13)DIOXOL5YL)3(5(4METHOXYBENZYL)3OXO23DIHYDRO1HPYRAZOL4YL)PROPANOATE
MFCD31755437
ZINC000096114083
ZINC000096114084
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