Vitas-M small molecule compound
[(7-benzyl-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl)sulfanyl]acetate
Catalog ID
STL058682
SMILES [O-]C(=O)CSc1nc2c(n1Cc1ccccc1)c(O)nc(=O)n2C
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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 C15H13N4O4S MW 345.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N4O4S/c1-18-12-11(13(22)17-14(18)23)19(7-9-5-3-2-4-6-9)15(16-12)24-8-10(20)21/h2-6H,7-8H2,1H3,(H,20,21)(H,17,22,23)/p-1InChIKey
MHJUMJCNYDJSNW-UHFFFAOYSA-MSynonyms
((7benzyl6hydroxy3methyl2oxo37dihydro2Hpurin8yl)sulfanyl)acetate
(O)C(=O)CSc1nc2c(n1Cc1ccccc1)c(O)nc(=O)n2C
2(7BENZYL3METHYL26DIOXOPURIN8YL)SULFANYLACETATE
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)(O))CC3=CC=CC=C3
InChI=1SC15H14N4O4Sc1181211(13(22)1714(18)23)19(79532469)15(1612)24810(20)21h26H78H21H3(H2021)(H172223)p1
ZINC00041885
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