Vitas-M small molecule compound
methyl 3-[5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-hydroxy-1H-pyrazol-4-yl]-3-(pyridin-3-yl)propanoate
Catalog ID
STL407732
SMILES COC(=O)CC(c1c([nH]nc1O)Cc1ccc2c(c1)CCO2)c1cccnc1
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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 C21H21N3O4 MW 379.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4/c1-27-19(25)11-16(15-3-2-7-22-12-15)20-17(23-24-21(20)26)10-13-4-5-18-14(9-13)6-8-28-18/h2-5,7,9,12,16H,6,8,10-11H2,1H3,(H2,23,24,26)InChIKey
XCYGPRMKZFMCJN-UHFFFAOYSA-NSynonyms
1574301-11-31574301113
COC(=O)CC(C1=CN=CC=C1)C2=C(NNC2=O)CC3=CC4=C(C=C3)OCC4
COC(=O)CC(c1c((nH)nc1O)Cc1ccc2c(c1)CCO2)c1cccnc1
InChI=1SC21H21N3O4c12719(25)1116(15327221215)2017(232421(20)26)1013451814(913)682818h25791216H681011H21H3(H2232426)
methyl3(3(23dihydro1benzofuran5ylmethyl)5oxo12dihydropyrazol4yl)3pyridin3ylpropanoate
methyl3(5(23dihydro1benzofuran5ylmethyl)3hydroxy1Hpyrazol4yl)3(pyridin3yl)propanoate
MFCD30704880
ZINC000096231169
ZINC000096231170
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