Vitas-M small molecule compound
benzyl {[7-(2-chlorobenzyl)-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl]sulfanyl}acetate
Catalog ID
STL147500
SMILES O=C(CSc1nc2c(n1Cc1ccccc1Cl)c(O)nc(=O)n2C)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 C22H19ClN4O4S MW 470.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN4O4S/c1-26-19-18(20(29)25-21(26)30)27(11-15-9-5-6-10-16(15)23)22(24-19)32-13-17(28)31-12-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,25,29,30)InChIKey
MCNAAFJYWMFUBR-UHFFFAOYSA-NSynonyms
377049-79-1377049791
benzyl((7(2chlorobenzyl)6hydroxy3methyl2oxo37dihydro2Hpurin8yl)sulfanyl)acetate
BENZYL2(7((2CHLOROPHENYL)METHYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETATE
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4Cl
InChI=1SC22H19ClN4O4Sc1261918(20(29)2521(26)30)27(11159561016(15)23)22(2419)321317(28)3112147324814h210H1113H21H3(H252930)
MFCD03800101
PHENYLMETHYL2(7((2CHLOROPHENYL)METHYL)3METHYL26DIOXO137TRIHYDROPURIN8YLTHIO)ACETATE
ZINC000000637305
ZINC00637305
ZINC637305
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