Vitas-M small molecule compound
methyl 3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-[4-(propan-2-yloxy)phenyl]propanoate
Catalog ID
STL312822
SMILES COC(=O)CC(c1c(C)[nH]nc1O)c1ccc(cc1)OC(C)C
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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 C17H22N2O4 MW 318.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O4/c1-10(2)23-13-7-5-12(6-8-13)14(9-15(20)22-4)16-11(3)18-19-17(16)21/h5-8,10,14H,9H2,1-4H3,(H2,18,19,21)InChIKey
ZHIJPRIFGYKXLO-UHFFFAOYSA-NSynonyms
1401570-05-51401570055
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=CC=C(C=C2)OC(C)C
COC(=O)CC(c1c(C)(nH)nc1O)c1ccc(cc1)OC(C)C
InChI=1SC17H22N2O4c110(2)23137512(6813)14(915(20)224)1611(3)181917(16)21h581014H9H214H3(H2181921)
methyl3(3hydroxy5methyl1Hpyrazol4yl)3(4(propan2yloxy)phenyl)propanoate
methyl3(3methyl5oxo12dihydropyrazol4yl)3(4propan2yloxyphenyl)propanoate
MFCD28029752
ZINC000079481357
ZINC000079481364
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