Vitas-M small molecule compound
6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-sulfanylpyrimidin-4(1H)-one
Catalog ID
STL565763
SMILES COc1c2c(CCN(C2c2c(O)[nH]c(nc2=O)S)C)cc2c1OCO2
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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 C16H17N3O5S MW 363.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O5S/c1-19-4-3-7-5-8-12(24-6-23-8)13(22-2)9(7)11(19)10-14(20)17-16(25)18-15(10)21/h5,11H,3-4,6H2,1-2H3,(H3,17,18,20,21,25)InChIKey
HUHLUSPAYUWBMW-UHFFFAOYSA-NSynonyms
401466-93-13574515
401466931
6hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)2sulfanylpyrimidin4(1H)one
6hydroxy5(4methoxy6methyl78dihydro5H(13)dioxolo(45g)isoquinolin5yl)2sulfanylidene1Hpyrimidin4one
InChI=1SC16H17N3O5Sc1194375812(246238)13(222)9(7)11(19)1014(20)1716(25)1815(10)21h511H346H212H3(H31718202125)
MFCD09791832
ZINC000020412316
ZINC000020412321
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