Vitas-M small molecule compound

6-hydroxy-5-(6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-4-oxo-1-[4-(propan-2-yl)phenyl]-1,4-dihydropyrimidine-2-thiolate

Catalog ID
STL565013
SMILES C[NH+]1CCc2c(C1c1c(=O)nc(n(c1O)c1ccc(cc1)C(C)C)[S-])cc1c(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 C24H25N3O4S MW 451.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O4S/c1-13(2)14-4-6-16(7-5-14)27-23(29)20(22(28)25-24(27)32)21-17-11-19-18(30-12-31-19)10-15(17)8-9-26(21)3/h4-7,10-11,13,21,29H,8-9,12H2,1-3H3,(H,25,28,32)
InChIKey
YFLDXUVFBYNOCL-UHFFFAOYSA-N
Synonyms
1190241-74-7
1190241747
3476224
5(6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)6oxo3(4propan2ylphenyl)2sulfanylidenepyrimidin4olate
6hydroxy5(6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)4oxo1(4(propan2yl)phenyl)14dihydropyrimidine2thiolate
InChI=1SC24H25N3O4Sc113(2)144616(7514)2723(29)20(22(28)2524(27)32)2117111918(30123119)1015(17)8926(21)3h471011132129H8912H213H3(H252832)
MFCD32651628
ZINC000001321753
ZINC000001321754

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Available files

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