Vitas-M small molecule compound
3-methyl-7-(3-methylbenzyl)-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK843060
SMILES CC(=O)C(Sc1nc2c(n1Cc1cccc(c1)C)c(=O)[nH]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/c1-10-6-5-7-13(8-10)9-22-14-15(21(4)17(25)20-16(14)24)19-18(22)26-12(3)11(2)23/h5-8,12H,9H2,1-4H3,(H,20,24,25)InChIKey
JHXLQCCTIOLEHR-UHFFFAOYSA-NSynonyms
442865-09-03METHYL7((3METHYLPHENYL)METHYL)8(3OXOBUTAN2YLSULFANYL)PURINE26DIONE
3methyl7(3methylbenzyl)8((3oxobutan2yl)sulfanyl)37dihydro1Hpurine26dione
3METHYL7(3METHYLBENZYL)8((3OXOBUTAN2YL)THIO)1HPURINE26(3H7H)DIONE
3METHYL8(1METHYL2OXOPROPYLTHIO)7((3METHYLPHENYL)METHYL)137TRIHYDROPURINE26DIONE
442865090
CC(=O)C(Sc1nc2c(n1Cc1cccc(c1)C)c(=O)(nH)c(=O)n2C)C
CC1=CC(=CC=C1)CN2C3=C(N=C2SC(C)C(=O)C)N(C(=O)NC3=O)C
InChI=1SC18H20N4O3Sc11065713(810)9221415(21(4)17(25)2016(14)24)1918(22)2612(3)11(2)23h5812H9H214H3(H202425)
MFCD03417384
ZINC000000785082
ZINC000000785086
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