Vitas-M small molecule compound
4-(7-chloro-1,3-benzodioxol-5-yl)-1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3-ol
Catalog ID
STL409452
SMILES CC1=Nc2c(C(S1)c1cc(Cl)c3c(c1)OCO3)c(nn2C1CCOC(C1)(C)C)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 C20H22ClN3O4S MW 435.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClN3O4S/c1-10-22-18-15(19(25)23-24(18)12-4-5-28-20(2,3)8-12)17(29-10)11-6-13(21)16-14(7-11)26-9-27-16/h6-7,12,17H,4-5,8-9H2,1-3H3,(H,23,25)InChIKey
DOXTWLHZNJHHNC-UHFFFAOYSA-NSynonyms
1574471-51-41574471514
4(7chloro13benzodioxol5yl)1(22dimethyloxan4yl)6methyl24dihydropyrazolo(34d)(13)thiazin3one
4(7chloro13benzodioxol5yl)1(22dimethyltetrahydro2Hpyran4yl)6methyl14dihydropyrazolo(34d)(13)thiazin3ol
CC1=NC2=C(C(S1)C3=CC4=C(C(=C3)Cl)OCO4)C(=O)NN2C5CCOC(C5)(C)C
InChI=1SC20H22ClN3O4Sc110221815(19(25)2324(18)12452820(23)812)17(2910)11613(21)1614(711)2692716h671217H4589H213H3(H2325)
MFCD30705719
ZINC000096117988
ZINC000096117991
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