Vitas-M small molecule compound
8-{[3-(8-bromo-2-hydroxy-3-methyl-6-oxo-3,6-dihydro-7H-purin-7-yl)propyl]sulfanyl}-7-(2-chlorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STL148485
SMILES Clc1ccccc1Cn1c(SCCCn2c(Br)nc3c2c(=O)nc(n3C)O)nc2c1c(O)nc(=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 C22H20BrClN8O4S MW 607.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrClN8O4S/c1-29-15-13(17(33)27-20(29)35)31(19(23)25-15)8-5-9-37-22-26-16-14(18(34)28-21(36)30(16)2)32(22)10-11-6-3-4-7-12(11)24/h3-4,6-7H,5,8-10H2,1-2H3,(H,27,33,35)(H,28,34,36)InChIKey
HFQHEXCMLGBORG-UHFFFAOYSA-NSynonyms
8((3(8bromo2hydroxy3methyl6oxo36dihydro7Hpurin7yl)propyl)sulfanyl)7(2chlorobenzyl)6hydroxy3methyl37dihydro2Hpurin2one
8BROMO7(3(7((2CHLOROPHENYL)METHYL)3METHYL26DIOXOPURIN8YL)SULFANYLPROPYL)3METHYLPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCSC3=NC4=C(N3CC5=CC=CC=C5Cl)C(=O)NC(=O)N4C
InChI=1SC22H20BrClN8O4Sc1291513(17(33)2720(29)35)31(19(23)2515)8593722261614(18(34)2821(36)30(16)2)32(22)1011634712(11)24h3467H5810H212H3(H273335)(H283436)
MFCD04071781
ZINC000005295876
ZINC5295876
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