Vitas-M small molecule compound
{[9-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfonyl}acetic acid
Catalog ID
STK897605
SMILES Fc1ccc(cc1)Cn1c2n(C)c(=O)n(c(=O)c2nc1S(=O)(=O)CC(=O)O)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 C16H15FN4O6S MW 410.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15FN4O6S/c1-19-13-12(14(24)20(2)16(19)25)18-15(28(26,27)8-11(22)23)21(13)7-9-3-5-10(17)6-4-9/h3-6H,7-8H2,1-2H3,(H,22,23)InChIKey
DWTJJXGOBNPTGZ-UHFFFAOYSA-NSynonyms
((9(4fluorobenzyl)13dimethyl26dioxo2369tetrahydro1Hpurin8yl)sulfonyl)aceticacid
2(9((4fluorophenyl)methyl)13dimethyl26dioxopurin8yl)sulfonylaceticacid
CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC=C(C=C3)F)S(=O)(=O)CC(=O)O
InChI=1SC16H15FN4O6Sc1191312(14(24)20(2)16(19)25)1815(28(2627)811(22)23)21(13)793510(17)649h36H78H212H3(H2223)
MFCD15147722
ZINC000040488438
ZINC40488438
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