Vitas-M small molecule compound
4-[6-hydroxy-3-oxo-1-(tetrahydro-2H-pyran-4-yl)-2,3,4,5-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid
Catalog ID
STL318678
SMILES OC1=Nc2c(C(C1)c1ccc(cc1)C(=O)O)c(=O)[nH]n2C1CCOCC1
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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 C18H19N3O5 MW 357.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O5/c22-14-9-13(10-1-3-11(4-2-10)18(24)25)15-16(19-14)21(20-17(15)23)12-5-7-26-8-6-12/h1-4,12-13H,5-9H2,(H,19,22)(H,20,23)(H,24,25)InChIKey
ROPJAWAXLYTGDG-UHFFFAOYSA-NSynonyms
1574309-02-61574309026
4(1(oxan4yl)36dioxo2457tetrahydropyrazolo(34b)pyridin4yl)benzoicacid
4(6hydroxy3oxo1(tetrahydro2Hpyran4yl)2345tetrahydro1Hpyrazolo(34b)pyridin4yl)benzoicacid
C1COCCC1N2C3=C(C(CC(=O)N3)C4=CC=C(C=C4)C(=O)O)C(=O)N2
InChI=1SC18H19N3O5c2214913(101311(4210)18(24)25)1516(1914)21(2017(15)23)1257268612h141213H59H2(H1922)(H2023)(H2425)
MFCD28031427
OC1=Nc2c(C(C1)c1ccc(cc1)C(=O)O)c(=O)(nH)n2C1CCOCC1
ZINC000095479489
ZINC000095479490
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