Vitas-M small molecule compound
methyl 3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-5-methylhexanoate
Catalog ID
STL313581
SMILES COC(=O)CC(c1c(C)[nH]nc1O)CC(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 C12H20N2O3 MW 240.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H20N2O3/c1-7(2)5-9(6-10(15)17-4)11-8(3)13-14-12(11)16/h7,9H,5-6H2,1-4H3,(H2,13,14,16)InChIKey
FOBHZEUNYANFCD-UHFFFAOYSA-NSynonyms
1436002-23-11436002231
CC1=C(C(=O)NN1)C(CC(C)C)CC(=O)OC
COC(=O)CC(c1c(C)(nH)nc1O)CC(C)C
InChI=1SC12H20N2O3c17(2)59(610(15)174)118(3)131412(11)16h79H56H214H3(H2131416)
methyl3(3hydroxy5methyl1Hpyrazol4yl)5methylhexanoate
methyl5methyl3(3methyl5oxo12dihydropyrazol4yl)hexanoate
MFCD28030193
ZINC000095475647
ZINC000095475648
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