Vitas-M small molecule compound
1-cycloheptyl-4-(5,8-dimethoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Catalog ID
STL434260
SMILES COc1c(cc(c2c1OCCO2)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 C23H29N3O5S MW 459.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O5S/c1-13-24-22-17(23(27)25-26(22)14-8-6-4-5-7-9-14)21(32-13)15-12-16(28-2)19-20(18(15)29-3)31-11-10-30-19/h12,14,21H,4-11H2,1-3H3,(H,25,27)InChIKey
YMUPFMZHQAGFFV-UHFFFAOYSA-NSynonyms
1cycloheptyl4(58dimethoxy23dihydro14benzodioxin6yl)6methyl14dihydropyrazolo(34d)(13)thiazin3(2H)one
1cycloheptyl4(58dimethoxy23dihydro14benzodioxin6yl)6methyl24dihydropyrazolo(34d)(13)thiazin3one
CC1=NC2=C(C(S1)C3=CC(=C4C(=C3OC)OCCO4)OC)C(=O)NN2C5CCCCCC5
COc1c(cc(c2c1OCCO2)OC)C1SC(=Nc2c1c(=O)(nH)n2C1CCCCCC1)C
InChI=1SC23H29N3O5Sc113242217(23(27)2526(22)1486457914)21(3213)151216(282)1920(18(15)293)3111103019h121421H411H213H3(H2527)
MFCD26098684
ZINC000085412387
ZINC000085412390
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