Vitas-M small molecule compound
methyl 3-(3-chloro-4-hydroxyphenyl)-3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)propanoate
Catalog ID
STL317164
SMILES COC(=O)CC(c1c(C)[nH]nc1O)c1ccc(c(c1)Cl)O
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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 C14H15ClN2O4 MW 310.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15ClN2O4/c1-7-13(14(20)17-16-7)9(6-12(19)21-2)8-3-4-11(18)10(15)5-8/h3-5,9,18H,6H2,1-2H3,(H2,16,17,20)InChIKey
YUHVMUUEBIUXQI-UHFFFAOYSA-NSynonyms
1435992-25-81435992258
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=CC(=C(C=C2)O)Cl
COC(=O)CC(c1c(C)(nH)nc1O)c1ccc(c(c1)Cl)O
InChI=1SC14H15ClN2O4c1713(14(20)17167)9(612(19)212)83411(18)10(15)58h35918H6H212H3(H2161720)
methyl3(3chloro4hydroxyphenyl)3(3hydroxy5methyl1Hpyrazol4yl)propanoate
methyl3(3chloro4hydroxyphenyl)3(3methyl5oxo12dihydropyrazol4yl)propanoate
MFCD28028215
ZINC000095478315
ZINC000095478316
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