Vitas-M small molecule compound
1-cycloheptyl-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Catalog ID
STL434262
SMILES COc1c(cc(c2c1OCO2)OC)C1SC(=Nc2c1c(=O)[nH]n2C1CCCCCC1)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 C22H27N3O5S MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O5S/c1-12-23-21-16(22(26)24-25(21)13-8-6-4-5-7-9-13)20(31-12)14-10-15(27-2)18-19(17(14)28-3)30-11-29-18/h10,13,20H,4-9,11H2,1-3H3,(H,24,26)InChIKey
VLVLMJJTAUIGHF-UHFFFAOYSA-NSynonyms
1cycloheptyl4(47dimethoxy13benzodioxol5yl)6methyl14dihydropyrazolo(34d)(13)thiazin3(2H)one
1cycloheptyl4(47dimethoxy13benzodioxol5yl)6methyl24dihydropyrazolo(34d)(13)thiazin3one
CC1=NC2=C(C(S1)C3=CC(=C4C(=C3OC)OCO4)OC)C(=O)NN2C5CCCCCC5
COc1c(cc(c2c1OCO2)OC)C1SC(=Nc2c1c(=O)(nH)n2C1CCCCCC1)C
InChI=1SC22H27N3O5Sc112232116(22(26)2425(21)1386457913)20(3112)141015(272)1819(17(14)283)30112918h101320H4911H213H3(H2426)
MFCD26098686
ZINC000085412400
ZINC000085412406
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