Vitas-M small molecule compound

2-(1,3-benzothiazol-2-yl)-4-methyl-5-(2-methylpropyl)-3-oxo-3,5-dihydro-2H-pyrazolo[4,3-c]pyridin-6-olate

Catalog ID
STL058727
SMILES CC(Cn1c([O-])cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2)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 C18H17N4O2S MW 353.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O2S/c1-10(2)9-21-11(3)16-13(8-15(21)23)20-22(17(16)24)18-19-12-6-4-5-7-14(12)25-18/h4-8,10,23H,9H2,1-3H3/p-1
InChIKey
JIEORYCZBAVKRQ-UHFFFAOYSA-M
Synonyms

2(13benzothiazol2yl)4methyl5(2methylpropyl)3oxo35dihydro2Hpyrazolo(43c)pyridin6olate
2(13benzothiazol2yl)4methyl5(2methylpropyl)3oxopyrazolo(43c)pyridin6olate
CC(Cn1c((O))cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2)C
CC(Cn1c((O))cc2c(c1C)c(=O)n(n2)c1nc2c(s1)cccc2)C(Na+)
CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CC(C)C)(O)
InChI=1SC18H18N4O2Sc110(2)92111(3)1613(815(21)23)2022(17(16)24)181912645714(12)2518h481023H9H213H3p1
sodium2(benzo(d)thiazol2yl)5isobutyl4methyl3oxo35dihydro2Hpyrazolo(43c)pyridin6olate
ZINC000012389600

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Available files

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