Vitas-M small molecule compound
1,3-dimethyl-7-(4-methylbenzyl)-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL006225
SMILES CC(=O)CSc1nc2c(n1Cc1ccc(cc1)C)c(=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 C18H20N4O3S MW 372.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O3S/c1-11-5-7-13(8-6-11)9-22-14-15(19-17(22)26-10-12(2)23)20(3)18(25)21(4)16(14)24/h5-8H,9-10H2,1-4H3InChIKey
HMUGEHPKYMIORT-UHFFFAOYSA-NSynonyms
476480-04-313DIMETHYL7((4METHYLPHENYL)METHYL)8(2OXOPROPYLSULFANYL)PURINE26DIONE
13DIMETHYL7((4METHYLPHENYL)METHYL)8(2OXOPROPYLTHIO)137TRIHYDROPURINE26DIONE
13dimethyl7(4methylbenzyl)8((2oxopropyl)sulfanyl)37dihydro1Hpurine26dione
13DIMETHYL7(4METHYLBENZYL)8((2OXOPROPYL)THIO)1HPURINE26(3H7H)DIONE
476480043
CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)C)N(C(=O)N(C3=O)C)C
InChI=1SC18H20N4O3Sc1115713(8611)9221415(1917(22)261012(2)23)20(3)18(25)21(4)16(14)24h58H910H214H3
MFCD03933546
ZINC000000796271
ZINC00796271
ZINC796271
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