Vitas-M small molecule compound

methyl 3-(1,5-dimethyl-1H-pyrazol-4-yl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate

Catalog ID
STL542185
SMILES COC(=O)CC(c1c(O)c(O)c(c2c1oc(cc2=O)c1ccccc1)O)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 C24H22N2O7 MW 450.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O7/c1-12-15(11-25-26(12)2)14(9-18(28)32-3)19-21(29)23(31)22(30)20-16(27)10-17(33-24(19)20)13-7-5-4-6-8-13/h4-8,10-11,14,29-31H,9H2,1-3H3
InChIKey
JZMMZYPAGLFJCV-UHFFFAOYSA-N
Synonyms
1574379-26-2
1574379262
75491057
InChI=1SC24H22N2O7c11215(112526(12)2)14(918(28)323)1921(29)23(31)22(30)2016(27)1017(3324(19)20)137546813h481011142931H9H213H3
methyl3(15dimethyl1Hpyrazol4yl)3(567trihydroxy4oxo2phenyl4Hchromen8yl)propanoate
methyl3(15dimethylpyrazol4yl)3(567trihydroxy4oxo2phenylchromen8yl)propanoate
MFCD28052152
ZINC000096220943
ZINC000096220945

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.