Vitas-M small molecule compound
7-[3-hydroxy-7-(methoxycarbonyl)-5H-pyrazolo[4,3-c]pyridin-5-yl]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL549640
SMILES COC(=O)c1cn(cc2c1nnc2O)C1C(=O)N2C1SCC(=C2C(=O)O)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 C16H14N4O6S MW 390.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O6S/c1-6-5-27-14-11(13(22)20(14)10(6)15(23)24)19-3-7-9(17-18-12(7)21)8(4-19)16(25)26-2/h3-4,11,14H,5H2,1-2H3,(H,18,21)(H,23,24)InChIKey
SILGJRHTYIAZTP-UHFFFAOYSA-NSynonyms
132286200
7(3hydroxy7(methoxycarbonyl)5Hpyrazolo(43c)pyridin5yl)3methyl8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7(7methoxycarbonyl3oxo2~(H)pyrazolo(43c)pyridin5yl)3methyl8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
InChI=1SC16H14N4O6Sc165271411(13(22)20(14)10(6)15(23)24)19379(171812(7)21)8(419)16(25)262h341114H5H212H3(H1821)(H2324)
MFCD31757111
ZINC000524731999
ZINC000888089982
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