Vitas-M small molecule compound
7-ethyl-1,3-dimethyl-8-{[(2-methylnaphthalen-1-yl)methyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK762361
SMILES CCn1c(SCc2c(C)ccc3c2cccc3)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 C21H22N4O2S MW 394.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S/c1-5-25-17-18(23(3)21(27)24(4)19(17)26)22-20(25)28-12-16-13(2)10-11-14-8-6-7-9-15(14)16/h6-11H,5,12H2,1-4H3InChIKey
XCBVVVOOOARBME-UHFFFAOYSA-NSynonyms
7ethyl13dimethyl8(((2methylnaphthalen1yl)methyl)sulfanyl)37dihydro1Hpurine26dione
7ETHYL13DIMETHYL8((2METHYLNAPHTHALEN1YL)METHYLSULFANYL)PURINE26DIONE
CCN1C2=C(N=C1SCC3=C(C=CC4=CC=CC=C43)C)N(C(=O)N(C2=O)C)C
InChI=1SC21H22N4O2Sc15251718(23(3)21(27)24(4)19(17)26)2220(25)28121613(2)101114867915(14)16h611H512H214H3
MFCD01872888
ZINC000000709302
ZINC00709302
ZINC709302
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