Vitas-M small molecule compound
methyl 3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-(1-methyl-1H-pyrazol-4-yl)propanoate
Catalog ID
STL312700
SMILES COC(=O)CC(c1c(C)[nH]nc1O)c1cnn(c1)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 C12H16N4O3 MW 264.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N4O3/c1-7-11(12(18)15-14-7)9(4-10(17)19-3)8-5-13-16(2)6-8/h5-6,9H,4H2,1-3H3,(H2,14,15,18)InChIKey
CMLHCDXSDTYRNZ-UHFFFAOYSA-NSynonyms
1436002-34-41436002344
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=CN(N=C2)C
COC(=O)CC(c1c(C)(nH)nc1O)c1cnn(c1)C
InChI=1SC12H16N4O3c1711(12(18)15147)9(410(17)193)851316(2)68h569H4H213H3(H2141518)
methyl3(3hydroxy5methyl1Hpyrazol4yl)3(1methyl1Hpyrazol4yl)propanoate
methyl3(3methyl5oxo12dihydropyrazol4yl)3(1methylpyrazol4yl)propanoate
MFCD28026796
ZINC000095474974
ZINC000095474975
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