Vitas-M small molecule compound
5-[({(Z)-[1-(4-fluorophenyl)-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)methyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553457
SMILES COc1c2OCOc2cc2c1C(CN/C=C\1/C(=O)N=C(N(C1=O)c1ccc(cc1)F)O)[N+](CC2)(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 C25H26FN4O6 MW 497.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25FN4O6/c1-30(2)9-8-14-10-19-21(36-13-35-19)22(34-3)20(14)18(30)12-27-11-17-23(31)28-25(33)29(24(17)32)16-6-4-15(26)5-7-16/h4-7,10-11,18H,8-9,12-13H2,1-3H3,(H-,27,28,31,32,33)/p+1InChIKey
VCKHSXDDMLZCCN-UHFFFAOYSA-OSynonyms
1(4fluorophenyl)6hydroxy5((4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5yl)methyliminomethyl)pyrimidine24dione
3772042
5((((Z)(1(4fluorophenyl)2hydroxy46dioxo16dihydropyrimidin5(4H)ylidene)methyl)amino)methyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
ZINC000002153021
ZINC000002153026
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