Vitas-M small molecule compound
1-[2-(cyclohex-1-en-1-yl)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
STL565009
SMILES COc1c2OCOc2cc2c1C([NH+](CC2)C)c1c(=O)nc(n(c1O)CCC1=CCCCC1)[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 C24H29N3O5S MW 471.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N3O5S/c1-26-10-9-15-12-16-20(32-13-31-16)21(30-2)17(15)19(26)18-22(28)25-24(33)27(23(18)29)11-8-14-6-4-3-5-7-14/h6,12,19,29H,3-5,7-11,13H2,1-2H3,(H,25,28,33)InChIKey
NUMJOCRWDUIPFW-UHFFFAOYSA-NSynonyms
1(2(cyclohex1en1yl)ethyl)6hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)4oxo14dihydropyrimidine2thiolate
3(2(cyclohexen1yl)ethyl)5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)6oxo2sulfanylidenepyrimidin4olate
3527333
InChI=1SC24H29N3O5Sc12610915121620(32133116)21(302)17(15)19(26)1822(28)2524(33)27(23(18)29)118146435714h6121929H3571113H212H3(H252833)
MFCD32651627
ZINC000001323052
ZINC000001323054
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