Vitas-M small molecule compound
ethyl 2-{[7-(3-bromobenzyl)-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl]sulfanyl}butanoate
Catalog ID
STK646407
SMILES CCOC(=O)C(Sc1nc2c(n1Cc1cccc(c1)Br)c(O)nc(=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 C19H21BrN4O4S MW 481.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21BrN4O4S/c1-4-13(17(26)28-5-2)29-19-21-15-14(16(25)22-18(27)23(15)3)24(19)10-11-7-6-8-12(20)9-11/h6-9,13H,4-5,10H2,1-3H3,(H,22,25,27)InChIKey
WXQQKZJGQTUNAV-UHFFFAOYSA-NSynonyms
331725-96-3331725963
CCC(C(=O)OCC)SC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C
ethyl2((7(3bromobenzyl)6hydroxy3methyl2oxo37dihydro2Hpurin8yl)sulfanyl)butanoate
ETHYL2(7((3BROMOPHENYL)METHYL)3METHYL26DIOXO137TRIHYDROPURIN8YLTHIO)BUTANOATE
ETHYL2(7((3BROMOPHENYL)METHYL)3METHYL26DIOXOPURIN8YL)SULFANYLBUTANOATE
InChI=1SC19H21BrN4O4Sc1413(17(26)2852)2919211514(16(25)2218(27)23(15)3)24(19)101176812(20)911h6913H4510H213H3(H222527)
MFCD18164235
ZINC000000632684
ZINC000000632687
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