Vitas-M small molecule compound
6-hydroxy-4-[4-(methylsulfanyl)phenyl]-1-(tetrahydro-2H-pyran-4-yl)-1,2,4,5-tetrahydro-3H-pyrazolo[3,4-b]pyridin-3-one
Catalog ID
STL410397
SMILES CSc1ccc(cc1)C1CC(=Nc2c1c(=O)[nH]n2C1CCOCC1)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 C18H21N3O3S MW 359.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O3S/c1-25-13-4-2-11(3-5-13)14-10-15(22)19-17-16(14)18(23)20-21(17)12-6-8-24-9-7-12/h2-5,12,14H,6-10H2,1H3,(H,19,22)(H,20,23)InChIKey
YAAPIDMDTNQRIO-UHFFFAOYSA-NSynonyms
1574337-52-21574337522
4(4methylsulfanylphenyl)1(oxan4yl)2457tetrahydropyrazolo(34b)pyridine36dione
6hydroxy4(4(methylsulfanyl)phenyl)1(tetrahydro2Hpyran4yl)1245tetrahydro3Hpyrazolo(34b)pyridin3one
CSC1=CC=C(C=C1)C2CC(=O)NC3=C2C(=O)NN3C4CCOCC4
CSc1ccc(cc1)C1CC(=Nc2c1c(=O)(nH)n2C1CCOCC1)O
InChI=1SC18H21N3O3Sc125134211(3513)141015(22)191716(14)18(23)2021(17)1268249712h251214H610H21H3(H1922)(H2023)
MFCD30706185
ZINC000096116991
ZINC000096116992
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