Vitas-M small molecule compound
ethyl ({7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate
Catalog ID
STK022325
SMILES CCOC(=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 C19H21BrN4O6S MW 513.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21BrN4O6S/c1-3-29-14(26)10-31-19-21-16-15(17(27)22-18(28)23(16)2)24(19)8-12(25)9-30-13-6-4-11(20)5-7-13/h4-7,12,25H,3,8-10H2,1-2H3,(H,22,27,28)InChIKey
AUZFJCNKWVWIMP-UHFFFAOYSA-NSynonyms
328070-08-2328070082
CCOC(=O)CSC1=NC2=C(N1CC(COC3=CC=C(C=C3)Br)O)C(=O)NC(=O)N2C
CCOC(=O)CSc1nc2c(n1CC(COc1ccc(cc1)Br)O)c(=O)(nH)c(=O)n2C
ethyl((7(3(4bromophenoxy)2hydroxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetate
ethyl2((7(3(4bromophenoxy)2hydroxypropyl)3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)acetate
ETHYL2(7(3(4BROMOPHENOXY)2HYDROXYPROPYL)3METHYL26DIOXOPURIN8YL)SULFANYLACETATE
InChI=1SC19H21BrN4O6Sc132914(26)103119211615(17(27)2218(28)23(16)2)24(19)812(25)930136411(20)5713h471225H3810H212H3(H222728)
MFCD01079319
STK022325
ZINC000013230564
ZINC000013230566
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