Vitas-M small molecule compound
4-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-1-(propan-2-yl)-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Catalog ID
STL434239
SMILES COc1c(cc(c2c1OCCO2)OC)C1SC(=Nc2c1c(=O)[nH]n2C(C)C)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 C19H23N3O5S MW 405.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O5S/c1-9(2)22-18-13(19(23)21-22)17(28-10(3)20-18)11-8-12(24-4)15-16(14(11)25-5)27-7-6-26-15/h8-9,17H,6-7H2,1-5H3,(H,21,23)InChIKey
GISKLDRQHTXVSX-UHFFFAOYSA-NSynonyms
4(58dimethoxy23dihydro14benzodioxin6yl)6methyl1(propan2yl)14dihydropyrazolo(34d)(13)thiazin3(2H)one
4(58dimethoxy23dihydro14benzodioxin6yl)6methyl1propan2yl24dihydropyrazolo(34d)(13)thiazin3one
CC1=NC2=C(C(S1)C3=CC(=C4C(=C3OC)OCCO4)OC)C(=O)NN2C(C)C
COc1c(cc(c2c1OCCO2)OC)C1SC(=Nc2c1c(=O)(nH)n2C(C)C)C
InChI=1SC19H23N3O5Sc19(2)221813(19(23)2122)17(2810(3)2018)11812(244)1516(14(11)255)27762615h8917H67H215H3(H2123)
MFCD26098663
ZINC000085412238
ZINC000085412241
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