Vitas-M small molecule compound
methyl 3-(3-hydroxy-4-oxo-4H-chromen-2-yl)-3-(1-methyl-1H-pyrazol-4-yl)propanoate
Catalog ID
STL544434
SMILES COC(=O)CC(c1oc2ccccc2c(=O)c1O)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 C17H16N2O5 MW 328.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O5/c1-19-9-10(8-18-19)12(7-14(20)23-2)17-16(22)15(21)11-5-3-4-6-13(11)24-17/h3-6,8-9,12,22H,7H2,1-2H3InChIKey
WLTDCEJCJOCIFQ-UHFFFAOYSA-NSynonyms
110206175
InChI=1SC17H16N2O5c119910(81819)12(714(20)232)1716(22)15(21)11534613(11)2417h36891222H7H212H3
methyl3(3hydroxy4oxo4Hchromen2yl)3(1methyl1Hpyrazol4yl)propanoate
methyl3(3hydroxy4oxochromen2yl)3(1methylpyrazol4yl)propanoate
MFCD29055570
ZINC000253414094
ZINC000253414095
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