Vitas-M small molecule compound
2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-[3-hydroxy-7-(methoxycarbonyl)-5H-pyrazolo[4,3-c]pyridin-5-yl]benzoic acid
Catalog ID
STL491269
SMILES COC(=O)c1cn(cc2c1nnc2O)c1ccc(c(c1)C(=O)O)n1nc(cc1C)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 C20H17N5O5 MW 407.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O5/c1-10-6-11(2)25(23-10)16-5-4-12(7-13(16)19(27)28)24-8-14-17(21-22-18(14)26)15(9-24)20(29)30-3/h4-9H,1-3H3,(H,22,26)(H,27,28)InChIKey
CJTQUIUJYXKBQX-UHFFFAOYSA-NSynonyms
2(35dimethyl1Hpyrazol1yl)5(3hydroxy7(methoxycarbonyl)5Hpyrazolo(43c)pyridin5yl)benzoicacid
2(35dimethylpyrazol1yl)5(7methoxycarbonyl3oxo2Hpyrazolo(43c)pyridin5yl)benzoicacid
CC1=CC(=NN1C2=C(C=C(C=C2)N3C=C4C(=NNC4=O)C(=C3)C(=O)OC)C(=O)O)C
InChI=1SC20H17N5O5c110611(2)25(2310)165412(713(16)19(27)28)2481417(212218(14)26)15(924)20(29)303h49H13H3(H2226)(H2728)
MFCD30714410
ZINC000253398893
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