Vitas-M small molecule compound
pentyl ({7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate
Catalog ID
STK089929
SMILES CCCCCOC(=O)CSc1nc2c(n1CC(COc1ccc(cc1)Br)O)c(=O)[nH]c(=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 C22H27BrN4O6S MW 555.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27BrN4O6S/c1-3-4-5-10-32-17(29)13-34-22-24-19-18(20(30)25-21(31)26(19)2)27(22)11-15(28)12-33-16-8-6-14(23)7-9-16/h6-9,15,28H,3-5,10-13H2,1-2H3,(H,25,30,31)InChIKey
IACCSAQYQZKVEH-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)CSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Br)O)C(=O)NC(=O)N2C
CCCCCOC(=O)CSc1nc2c(n1CC(COc1ccc(cc1)Br)O)c(=O)(nH)c(=O)n2C
InChI=1SC22H27BrN4O6Sc1345103217(29)133422241918(20(30)2521(31)26(19)2)27(22)1115(28)1233168614(23)7916h691528H351013H212H3(H253031)
MFCD01079320
pentyl((7(3(4bromophenoxy)2hydroxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetate
PENTYL((7(3(4BROMOPHENOXY)2HYDROXYPROPYL)6HYDROXY3METHYL2OXO37DIHYDRO2HPURIN8YL)SULFANYL)ACETATE
pentyl2((7(3(4bromophenoxy)2hydroxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
PENTYL2(7(3(4BROMOPHENOXY)2HYDROXYPROPYL)3METHYL26DIOXO137TRIHYDROPURIN8YLTHIO)ACETATE
PENTYL2(7(3(4BROMOPHENOXY)2HYDROXYPROPYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETATE
STK089929
ZINC000005295294
Check stock
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