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)butanoate
Catalog ID
STK012617
SMILES CCOC(=O)C(Sc1nc2c(n1CC(COc1ccc(cc1)Br)O)c(=O)[nH]c(=O)n2C)CC
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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 C21H25BrN4O6S MW 541.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25BrN4O6S/c1-4-15(19(29)31-5-2)33-21-23-17-16(18(28)24-20(30)25(17)3)26(21)10-13(27)11-32-14-8-6-12(22)7-9-14/h6-9,13,15,27H,4-5,10-11H2,1-3H3,(H,24,28,30)InChIKey
AUAFCWIOKBPIDD-UHFFFAOYSA-NSynonyms
331726-29-5331726295
CCC(C(=O)OCC)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)CC
ethyl2((7(3(4bromophenoxy)2hydroxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)butanoate
ethyl2((7(3(4bromophenoxy)2hydroxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)butanoate
ETHYL2(7(3(4BROMOPHENOXY)2HYDROXYPROPYL)3METHYL26DIOXOPURIN8YL)SULFANYLBUTANOATE
InChI=1SC21H25BrN4O6Sc1415(19(29)3152)3321231716(18(28)2420(30)25(17)3)26(21)1013(27)1132148612(22)7914h69131527H451011H213H3(H242830)
MFCD01079322
STK012617
ZINC000002239693
ZINC000005295290
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