Vitas-M small molecule compound
benzyl {[6-hydroxy-3-methyl-7-(3-methylbutyl)-2-oxo-3,7-dihydro-2H-purin-8-yl]sulfanyl}acetate
Catalog ID
STK561314
SMILES CC(CCn1c(SCC(=O)OCc2ccccc2)nc2c1c(O)nc(=O)n2C)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 C20H24N4O4S MW 416.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N4O4S/c1-13(2)9-10-24-16-17(23(3)19(27)22-18(16)26)21-20(24)29-12-15(25)28-11-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,22,26,27)InChIKey
QNGQARVSCLYNKE-UHFFFAOYSA-NSynonyms
377054-65-4377054654
benzyl((6hydroxy3methyl7(3methylbutyl)2oxo37dihydro2Hpurin8yl)sulfanyl)acetate
BENZYL2(3METHYL7(3METHYLBUTYL)26DIOXOPURIN8YL)SULFANYLACETATE
CC(C)CCN1C2=C(N=C1SCC(=O)OCC3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC20H24N4O4Sc113(2)910241617(23(3)19(27)2218(16)26)2120(24)291215(25)2811147546814h4813H912H213H3(H222627)
MFCD03802204
PHENYLMETHYL2(3METHYL7(3METHYLBUTYL)26DIOXO137TRIHYDROPURIN8YLTHIO)ACETATE
ZINC000000637080
ZINC00637080
ZINC637080
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