Vitas-M small molecule compound
1-cyclooctyl-6-methyl-4-[4-(methylsulfonyl)phenyl]-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Catalog ID
STL249799
SMILES CC1=Nc2c(C(S1)c1ccc(cc1)S(=O)(=O)C)c(=O)[nH]n2C1CCCCCCC1
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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 C21H27N3O3S2 MW 433.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3S2/c1-14-22-20-18(19(28-14)15-10-12-17(13-11-15)29(2,26)27)21(25)23-24(20)16-8-6-4-3-5-7-9-16/h10-13,16,19H,3-9H2,1-2H3,(H,23,25)InChIKey
JFXYWVNYFHCFPL-UHFFFAOYSA-NSynonyms
1324072-98-11324072981
1cyclooctyl6methyl4(4(methylsulfonyl)phenyl)12dihydropyrazolo(34d)(13)thiazin3(4H)one
1cyclooctyl6methyl4(4(methylsulfonyl)phenyl)14dihydropyrazolo(34d)(13)thiazin3(2H)one
1cyclooctyl6methyl4(4methylsulfonylphenyl)24dihydropyrazolo(34d)(13)thiazin3one
CC1=NC2=C(C(S1)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)NN2C4CCCCCCC4
CC1=Nc2c(C(S1)c1ccc(cc1)S(=O)(=O)C)c(=O)(nH)n2C1CCCCCCC1
InChI=1SC21H27N3O3S2c114222018(19(2814)15101217(131115)29(226)27)21(25)2324(20)16864357916h10131619H39H212H3(H2325)
MFCD19711982
ZINC000071285684
ZINC000071285685
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