Vitas-M small molecule compound
methyl 3-(2-chloro-6-fluorophenyl)-3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)propanoate
Catalog ID
STL312534
SMILES COC(=O)CC(c1c(O)n[nH]c1C)c1c(F)cccc1Cl
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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 C14H14ClFN2O3 MW 312.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14ClFN2O3/c1-7-12(14(20)18-17-7)8(6-11(19)21-2)13-9(15)4-3-5-10(13)16/h3-5,8H,6H2,1-2H3,(H2,17,18,20)InChIKey
IQMHFQNPMQRUNH-UHFFFAOYSA-NSynonyms
1401592-05-91401592059
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=C(C=CC=C2Cl)F
COC(=O)CC(c1c(O)n(nH)c1C)c1c(F)cccc1Cl
InChI=1SC14H14ClFN2O3c1712(14(20)18177)8(611(19)212)139(15)43510(13)16h358H6H212H3(H2171820)
methyl3(2chloro6fluorophenyl)3(3hydroxy5methyl1Hpyrazol4yl)propanoate
methyl3(2chloro6fluorophenyl)3(3methyl5oxo12dihydropyrazol4yl)propanoate
MFCD28026715
ZINC000079489812
ZINC000079489815
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