Vitas-M small molecule compound
methyl 5-(3-hydroxy-2H-1,4-benzoxazin-7-yl)-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
Catalog ID
STL421990
SMILES COC(=O)c1cn(cc2c1n[nH]c2=O)c1ccc2c(c1)OCC(=N2)O
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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 C16H12N4O5 MW 340.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N4O5/c1-24-16(23)10-6-20(5-9-14(10)18-19-15(9)22)8-2-3-11-12(4-8)25-7-13(21)17-11/h2-6H,7H2,1H3,(H,17,21)(H,19,22)InChIKey
FRGBDZNBSRCFOY-UHFFFAOYSA-NSynonyms
COC(=O)C1=CN(C=C2C1=NNC2=O)C3=CC4=C(C=C3)NC(=O)CO4
COC(=O)c1cn(cc2c1n(nH)c2=O)c1ccc2c(c1)OCC(=N2)O
InChI=1SC16H12N4O5c12416(23)10620(5914(10)181915(9)22)8231112(48)25713(21)1711h26H7H21H3(H1721)(H1922)
methyl3oxo5(3oxo4H14benzoxazin7yl)2Hpyrazolo(43c)pyridine7carboxylate
methyl5(3hydroxy2H14benzoxazin7yl)3oxo35dihydro2Hpyrazolo(43c)pyridine7carboxylate
MFCD30707886
ZINC000252484200
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