Vitas-M small molecule compound
1-ethyl-6-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-4-oxo-1,4-dihydropyrimidine-2-thiolate
Catalog ID
STL528534
SMILES COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)nc(n(c1O)CC)[S-]
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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 C18H21N3O5S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O5S/c1-4-21-17(23)12(16(22)19-18(21)27)13-11-9(5-6-20(13)2)7-10-14(15(11)24-3)26-8-25-10/h7,13,23H,4-6,8H2,1-3H3,(H,19,22,27)InChIKey
FALYYNBPSNPBRP-UHFFFAOYSA-NSynonyms
1ethyl6hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)4oxo14dihydropyrimidine2thiolate
3719239
3ethyl5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)6oxo2sulfanylidenepyrimidin4olate
InChI=1SC18H21N3O5Sc142117(23)12(16(22)1918(21)27)13119(5620(13)2)71014(15(11)243)2682510h71323H468H213H3(H192227)
MFCD31753879
ZINC000001322473
ZINC000001322474
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