Vitas-M small molecule compound
methyl 3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-(thiophen-3-yl)propanoate
Catalog ID
STL311362
SMILES COC(=O)CC(c1c(C)[nH]nc1O)c1cscc1
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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 C12H14N2O3S MW 266.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N2O3S/c1-7-11(12(16)14-13-7)9(5-10(15)17-2)8-3-4-18-6-8/h3-4,6,9H,5H2,1-2H3,(H2,13,14,16)InChIKey
VAFRGWLWZORIKA-UHFFFAOYSA-NSynonyms
1401576-78-01401576780
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=CSC=C2
COC(=O)CC(c1c(C)(nH)nc1O)c1cscc1
InChI=1SC12H14N2O3Sc1711(12(16)14137)9(510(15)172)8341868h3469H5H212H3(H2131416)
methyl3(3hydroxy5methyl1Hpyrazol4yl)3(thiophen3yl)propanoate
methyl3(3methyl5oxo12dihydropyrazol4yl)3thiophen3ylpropanoate
MFCD28026056
ZINC000079491313
ZINC000079491316
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