Vitas-M small molecule compound
methyl 3-(1,5-dimethyl-1H-pyrazol-4-yl)-3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)propanoate
Catalog ID
STL316330
SMILES COC(=O)CC(c1c(O)n[nH]c1C)c1cnn(c1C)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 C13H18N4O3 MW 278.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N4O3/c1-7-12(13(19)16-15-7)9(5-11(18)20-4)10-6-14-17(3)8(10)2/h6,9H,5H2,1-4H3,(H2,15,16,19)InChIKey
JLQJLDWLONGPIW-UHFFFAOYSA-NSynonyms
1435907-96-21435907962
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=C(N(N=C2)C)C
COC(=O)CC(c1c(O)n(nH)c1C)c1cnn(c1C)C
InChI=1SC13H18N4O3c1712(13(19)16157)9(511(18)204)1061417(3)8(10)2h69H5H214H3(H2151619)
methyl3(15dimethyl1Hpyrazol4yl)3(3hydroxy5methyl1Hpyrazol4yl)propanoate
methyl3(15dimethylpyrazol4yl)3(3methyl5oxo12dihydropyrazol4yl)propanoate
MFCD28027757
ZINC000095477700
ZINC000095477701
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