Vitas-M small molecule compound
1-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-(6-hydroxy[1,3]dioxolo[4,5-g]quinolin-7-yl)-6-methyl-1,4-dihydropyrazolo[3,4-d][1,3]thiazin-3(2H)-one
Catalog ID
STL409861
SMILES CC1=Nc2c(C(S1)c1cc3cc4OCOc4cc3nc1O)c(=O)[nH]n2C1CCOC(C1)(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 C23H24N4O5S MW 468.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O5S/c1-11-24-20-18(22(29)26-27(20)13-4-5-32-23(2,3)9-13)19(33-11)14-6-12-7-16-17(31-10-30-16)8-15(12)25-21(14)28/h6-8,13,19H,4-5,9-10H2,1-3H3,(H,25,28)(H,26,29)InChIKey
HQMRELZIVKVIBH-UHFFFAOYSA-NSynonyms
1574479-73-41(22dimethyltetrahydro2Hpyran4yl)4(6hydroxy(13)dioxolo(45g)quinolin7yl)6methyl14dihydropyrazolo(34d)(13)thiazin3(2H)one
1574479734
7(1(22dimethyloxan4yl)6methyl3oxo24dihydropyrazolo(34d)(13)thiazin4yl)5H(13)dioxolo(45g)quinolin6one
CC1=NC2=C(C(S1)C3=CC4=CC5=C(C=C4NC3=O)OCO5)C(=O)NN2C6CCOC(C6)(C)C
CC1=Nc2c(C(S1)c1cc3cc4OCOc4cc3nc1O)c(=O)(nH)n2C1CCOC(C1)(C)C
InChI=1SC23H24N4O5Sc111242018(22(29)2627(20)13453223(23)913)19(3311)1461271617(31103016)815(12)2521(14)28h681319H45910H213H3(H2528)(H2629)
MFCD30705920
ZINC000096116882
ZINC000096116885
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