Vitas-M small molecule compound
2-(1,3-benzothiazol-2-yl)-5-butyl-4-methyl-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate
Catalog ID
STL058691
SMILES CCCCn1c([O-])cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2
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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 C18H17N4O2S MW 353.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O2S/c1-3-4-9-21-11(2)16-13(10-15(21)23)20-22(17(16)24)18-19-12-7-5-6-8-14(12)25-18/h5-8,10,23H,3-4,9H2,1-2H3/p-1InChIKey
DWBFONGEDXTWFN-UHFFFAOYSA-MSynonyms
2(13benzothiazol2yl)5butyl4methyl3oxo35dihydro2Hpyrazolo(43c)pyridin6olate
2(13benzothiazol2yl)5butyl4methyl3oxopyrazolo(43c)pyridin6olate
CCCCn1c((O))cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2
CCCCn1c((O))cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2(Na+)
CCCCN1C(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C1(O))C
InChI=1SC18H18N4O2Sc13492111(2)1613(1015(21)23)2022(17(16)24)181912756814(12)2518h581023H349H212H3p1
sodium2(benzo(d)thiazol2yl)5butyl4methyl3oxo35dihydro2Hpyrazolo(43c)pyridin6olate
ZINC000101514362
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