Vitas-M small molecule compound
benzyl [(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetate
Catalog ID
STK838639
SMILES O=C(CSc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)C)OCc1ccccc1
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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 C23H22N4O4S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S/c1-25-20-19(21(29)26(2)23(25)30)27(13-16-9-5-3-6-10-16)22(24-20)32-15-18(28)31-14-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3InChIKey
JJLNJFANPYCUQJ-UHFFFAOYSA-NSynonyms
332905-31-4332905314
benzyl((7benzyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetate
benzyl2((7benzyl13dimethyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
BENZYL2(7BENZYL13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETATE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4
InChI=1SC23H22N4O4Sc1252019(21(29)26(2)23(25)30)27(131695361016)22(2420)321518(28)311417117481217h312H1315H212H3
MFCD01948485
PHENYLMETHYL2(13DIMETHYL26DIOXO7BENZYL137TRIHYDROPURIN8YLTHIO)ACETATE
ZINC000000629028
ZINC00629028
ZINC629028
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