Vitas-M small molecule compound
methyl {5-[1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-hydroxy-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-4-yl]-2-methoxyphenoxy}acetate
Catalog ID
STL409947
SMILES COC(=O)COc1cc(ccc1OC)C1SC(=Nc2c1c(O)nn2C1CCOC(C1)(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 C23H29N3O6S MW 475.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N3O6S/c1-13-24-21-19(22(28)25-26(21)15-8-9-32-23(2,3)11-15)20(33-13)14-6-7-16(29-4)17(10-14)31-12-18(27)30-5/h6-7,10,15,20H,8-9,11-12H2,1-5H3,(H,25,28)InChIKey
XECVPFSJDSCIBF-UHFFFAOYSA-NSynonyms
1574485-61-21574485612
CC1=NC2=C(C(S1)C3=CC(=C(C=C3)OC)OCC(=O)OC)C(=O)NN2C4CCOC(C4)(C)C
InChI=1SC23H29N3O6Sc113242119(22(28)2526(21)15893223(23)1115)20(3313)146716(294)17(1014)311218(27)305h67101520H891112H215H3(H2528)
methyl(5(1(22dimethyltetrahydro2Hpyran4yl)3hydroxy6methyl14dihydropyrazolo(34d)(13)thiazin4yl)2methoxyphenoxy)acetate
methyl2(5(1(22dimethyloxan4yl)6methyl3oxo24dihydropyrazolo(34d)(13)thiazin4yl)2methoxyphenoxy)acetate
MFCD30705966
ZINC000096116806
ZINC000096116809
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