Vitas-M small molecule compound
3-methyl-7-(4-methylbenzyl)-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK052241
SMILES Cc1ccc(cc1)Cn1c(SCC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=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 C22H20N4O3S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S/c1-14-8-10-15(11-9-14)12-26-18-19(25(2)21(29)24-20(18)28)23-22(26)30-13-17(27)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,24,28,29)InChIKey
JXEFOPSDPGHKDP-UHFFFAOYSA-NSynonyms
303969-80-43METHYL7((4METHYLPHENYL)METHYL)8(2OXO2PHENYLETHYLTHIO)137TRIHYDROPURINE26DIONE
3METHYL7((4METHYLPHENYL)METHYL)8PHENACYLSULFANYLPURINE26DIONE
3METHYL7(4METHYLBENZYL)8((2OXO2PHENYLETHYL)SULFANYL)37DIHYDRO1HPURINE26DIONE
3METHYL7(4METHYLBENZYL)8((2OXO2PHENYLETHYL)THIO)1HPURINE26(3H7H)DIONE
6HYDROXY3METHYL7(4METHYLBENZYL)8((2OXO2PHENYLETHYL)SULFANYL)37DIHYDRO2HPURIN2ONE
CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)C4=CC=CC=C4)N(C(=O)NC3=O)C
Cc1ccc(cc1)Cn1c(SCC(=O)c2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
InChI=1SC22H20N4O3Sc11481015(11914)12261819(25(2)21(29)2420(18)28)2322(26)301317(27)166435716h311H1213H212H3(H242829)
MFCD01553679
STK052241
ZINC000000850092
ZINC00850092
ZINC850092
Check stock
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Check stock on Vitas-MAvailable files
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