Vitas-M small molecule compound
7-(4-bromobenzyl)-8-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK383103
SMILES Brc1ccc(cc1)Cn1c(SCC(=O)N2CCc3c(C2)cccc3)nc2c1c(=O)n(c(=O)n2C)C
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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 C25H24BrN5O3S MW 554.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24BrN5O3S/c1-28-22-21(23(33)29(2)25(28)34)31(13-16-7-9-19(26)10-8-16)24(27-22)35-15-20(32)30-12-11-17-5-3-4-6-18(17)14-30/h3-10H,11-15H2,1-2H3InChIKey
ZMDBQWCSNMDJND-UHFFFAOYSA-NSynonyms
7((4BROMOPHENYL)METHYL)8(2(34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)SULFANYL13DIMETHYLPURINE26DIONE
7(4bromobenzyl)8((2(34dihydroisoquinolin2(1H)yl)2oxoethyl)sulfanyl)13dimethyl37dihydro1Hpurine26dione
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N3CCC4=CC=CC=C4C3)CC5=CC=C(C=C5)Br
InChI=1SC25H24BrN5O3Sc1282221(23(33)29(2)25(28)34)31(13167919(26)10816)24(2722)351520(32)30121117534618(17)1430h310H1115H212H3
MFCD03835472
ZINC000004113178
ZINC4113178
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