Vitas-M small molecule compound

1-{2-O-[(4-methylphenyl)sulfonyl]pentofuranosyl}pyrimidine-2,4(1H,3H)-dione

Catalog ID
STL525002
SMILES OCC1OC(C(C1O)OS(=O)(=O)c1ccc(cc1)C)n1ccc(=O)[nH]c1=O

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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 C16H18N2O8S MW 398.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O8S/c1-9-2-4-10(5-3-9)27(23,24)26-14-13(21)11(8-19)25-15(14)18-7-6-12(20)17-16(18)22/h2-7,11,13-15,19,21H,8H2,1H3,(H,17,20,22)
InChIKey
PELFVTNUPTXPNF-UHFFFAOYSA-N
Synonyms

(2(24DIOXOPYRIMIDIN1YL)4HYDROXY5(HYDROXYMETHYL)OXOLAN3YL)4METHYLBENZENESULFONATE
(2R3R4R5R)2(24dioxo34dihydropyrimidin1(2H)yl)4hydroxy5(hydroxymethyl)tetrahydrofuran3yl4methylbenzenesulfonate
1(2O((4methylphenyl)sulfonyl)pentofuranosyl)pyrimidine24(1H3H)dione
4985721
InChI=1SC16H18N2O8Sc192410(539)27(2324)261413(21)11(819)2515(14)187612(20)1716(18)22h271113151921H8H21H3(H172022)
MFCD00523147
OC(C@H)1O(C@H)((C@@H)((C@@H)1O)OS(=O)(=O)c1ccc(cc1)C)n1ccc(=O)(nH)c1=O
ZINC000006142299
ZINC000103026823

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Available files

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