Vitas-M small molecule compound
methyl 5-(1,1-dioxidotetrahydrothiophen-3-yl)-3-hydroxy-5H-pyrazolo[4,3-c]pyridine-7-carboxylate
Catalog ID
STL490992
SMILES COC(=O)c1cn(cc2c1nnc2O)C1CCS(=O)(=O)C1
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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 C12H13N3O5S MW 311.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O5S/c1-20-12(17)9-5-15(7-2-3-21(18,19)6-7)4-8-10(9)13-14-11(8)16/h4-5,7H,2-3,6H2,1H3,(H,14,16)InChIKey
BRGUHRRRCFKPHR-UHFFFAOYSA-NSynonyms
COC(=O)C1=CN(C=C2C1=NNC2=O)C3CCS(=O)(=O)C3
InChI=1SC12H13N3O5Sc12012(17)9515(72321(1819)67)4810(9)131411(8)16h457H236H21H3(H1416)
methyl5(11dioxidotetrahydrothiophen3yl)3hydroxy5Hpyrazolo(43c)pyridine7carboxylate
methyl5(11dioxothiolan3yl)3oxo2Hpyrazolo(43c)pyridine7carboxylate
MFCD30714228
ZINC000253397896
ZINC000253397901
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