Vitas-M small molecule compound
1-cyclohexyl-4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Catalog ID
STL434159
SMILES COc1c(cc2c(c1OC)OCO2)C1SC(=Nc2c1c(=O)[nH]n2C1CCCCC1)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 C21H25N3O5S MW 431.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O5S/c1-11-22-20-15(21(25)23-24(20)12-7-5-4-6-8-12)19(30-11)13-9-14-17(29-10-28-14)18(27-3)16(13)26-2/h9,12,19H,4-8,10H2,1-3H3,(H,23,25)InChIKey
UTCLVLRSIZTRNG-UHFFFAOYSA-NSynonyms
1cyclohexyl4(67dimethoxy13benzodioxol5yl)6methyl14dihydropyrazolo(34d)(13)thiazin3(2H)one
1cyclohexyl4(67dimethoxy13benzodioxol5yl)6methyl24dihydropyrazolo(34d)(13)thiazin3one
CC1=NC2=C(C(S1)C3=CC4=C(C(=C3OC)OC)OCO4)C(=O)NN2C5CCCCC5
COc1c(cc2c(c1OC)OCO2)C1SC(=Nc2c1c(=O)(nH)n2C1CCCCC1)C
InChI=1SC21H25N3O5Sc111222015(21(25)2324(20)127546812)19(3011)1391417(29102814)18(273)16(13)262h91219H4810H213H3(H2325)
MFCD26098610
ZINC000085411768
ZINC000085411770
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