Vitas-M small molecule compound
ethyl 2-({7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoate
Catalog ID
STK088239
SMILES CCOC(=O)C(Sc1nc2c(n1CC(COc1ccc(cc1)Br)O)c(=O)[nH]c(=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 C20H23BrN4O6S MW 527.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23BrN4O6S/c1-4-30-18(28)11(2)32-20-22-16-15(17(27)23-19(29)24(16)3)25(20)9-13(26)10-31-14-7-5-12(21)6-8-14/h5-8,11,13,26H,4,9-10H2,1-3H3,(H,23,27,29)InChIKey
ZYBBJYBOYDBORJ-UHFFFAOYSA-NSynonyms
331726-28-4331726284
CCOC(=O)C(C)SC1=NC2=C(N1CC(COC3=CC=C(C=C3)Br)O)C(=O)NC(=O)N2C
CCOC(=O)C(Sc1nc2c(n1CC(COc1ccc(cc1)Br)O)c(=O)(nH)c(=O)n2C)C
ethyl2((7(3(4bromophenoxy)2hydroxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)propanoate
ethyl2((7(3(4bromophenoxy)2hydroxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)propanoate
ETHYL2(7(3(4BROMOPHENOXY)2HYDROXYPROPYL)3METHYL26DIOXO137TRIHYDROPURIN8YLTHIO)PROPANOATE
ETHYL2(7(3(4BROMOPHENOXY)2HYDROXYPROPYL)3METHYL26DIOXOPURIN8YL)SULFANYLPROPANOATE
InChI=1SC20H23BrN4O6Sc143018(28)11(2)3220221615(17(27)2319(29)24(16)3)25(20)913(26)1031147512(21)6814h58111326H4910H213H3(H232729)
MFCD01079321
STK088239
ZINC000005295239
ZINC000053352748
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.