Vitas-M small molecule compound
5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-2,6-dioxo-3-(prop-2-en-1-yl)-1,2,3,6-tetrahydropyrimidin-4-olate
Catalog ID
STL537955
SMILES C=CCn1c(=O)[nH]c(=O)c(c1[O-])C1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1
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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 C19H21N3O6 MW 387.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O6/c1-4-6-22-18(24)13(17(23)20-19(22)25)14-12-10(5-7-21(14)2)8-11-15(16(12)26-3)28-9-27-11/h4,8,14,24H,1,5-7,9H2,2-3H3,(H,20,23,25)InChIKey
KEHQKKNZQJETFS-UHFFFAOYSA-NSynonyms
16409457
3allyl5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)26dioxo1236tetrahydropyrimidin4olate
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)26dioxo3(prop2en1yl)1236tetrahydropyrimidin4olate
5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)26dioxo3prop2enylpyrimidin4olate
C=CCn1c(=O)(nH)c(=O)c(c1(O))C1(NH+)(C)CCc2c1c(OC)c1c(c2)OCO1
InChI=1SC19H21N3O6c1462218(24)13(17(23)2019(22)25)141210(5721(14)2)81115(16(12)263)2892711h481424H1579H223H3(H202325)
MFCD03267434
ZINC000020760056
ZINC000020760060
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