Vitas-M small molecule compound
8-(benzylsulfanyl)-3-methyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK036381
SMILES O=c1[nH]c(=O)n(c2c1n(C(C)C)c(n2)SCc1ccccc1)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 C16H18N4O2S MW 330.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O2S/c1-10(2)20-12-13(19(3)15(22)18-14(12)21)17-16(20)23-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,18,21,22)InChIKey
KSLOMNIYZYEGIE-UHFFFAOYSA-NSynonyms
326919-20-4326919204
8(BENZYLSULFANYL)3METHYL7(PROPAN2YL)37DIHYDRO1HPURINE26DIONE
8(BENZYLSULFANYL)6HYDROXY3METHYL7(PROPAN2YL)37DIHYDRO2HPURIN2ONE
8(benzylthio)7isopropyl3methyl1Hpurine26(3H7H)dione
8BENZYLSULFANYL3METHYL7PROPAN2YLPURINE26DIONE
CC(C)N1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC16H18N4O2Sc110(2)201213(19(3)15(22)1814(12)21)1716(20)239117546811h4810H9H213H3(H182122)
MFCD01556941
O=c1(nH)c(=O)n(c2c1n(C(C)C)c(n2)SCc1ccccc1)C
STK036381
ZINC00405554
ZINC405554
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