Vitas-M small molecule compound
4-(2-hydroxy-6-methoxyquinolin-3-yl)-6-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Catalog ID
STL314312
SMILES COc1ccc2c(c1)cc(c(n2)O)C1SC(=Nc2c1c(=O)[nH]n2C1CCOCC1)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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-11-22-19-17(21(27)24-25(19)13-5-7-29-8-6-13)18(30-11)15-10-12-9-14(28-2)3-4-16(12)23-20(15)26/h3-4,9-10,13,18H,5-8H2,1-2H3,(H,23,26)(H,24,27)InChIKey
IJBDZPGPDSXRNG-UHFFFAOYSA-NSynonyms
1574465-51-21574465512
4(2hydroxy6methoxyquinolin3yl)6methyl1(tetrahydro2Hpyran4yl)14dihydropyrazolo(34d)(13)thiazin3(2H)one
4(6methoxy2oxo1Hquinolin3yl)6methyl1(oxan4yl)24dihydropyrazolo(34d)(13)thiazin3one
CC1=NC2=C(C(S1)C3=CC4=C(C=CC(=C4)OC)NC3=O)C(=O)NN2C5CCOCC5
COc1ccc2c(c1)cc(c(n2)O)C1SC(=Nc2c1c(=O)(nH)n2C1CCOCC1)C
InChI=1SC21H22N4O4Sc111221917(21(27)2425(19)1357298613)18(3011)151012914(282)3416(12)2320(15)26h349101318H58H212H3(H2326)(H2427)
MFCD28030622
ZINC000095476220
ZINC000095476221
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