Vitas-M small molecule compound
3-methyl-7-(2-methylprop-2-en-1-yl)-8-[(naphthalen-2-ylmethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK543093
SMILES CC(=C)Cn1c(SCc2ccc3c(c2)cccc3)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 C21H20N4O2S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S/c1-13(2)11-25-17-18(24(3)20(27)23-19(17)26)22-21(25)28-12-14-8-9-15-6-4-5-7-16(15)10-14/h4-10H,1,11-12H2,2-3H3,(H,23,26,27)InChIKey
PCNVPNFNGWCFIM-UHFFFAOYSA-NSynonyms
497231-31-93methyl7(2methylallyl)8((naphthalen2ylmethyl)thio)1Hpurine26(3H7H)dione
3methyl7(2methylprop2en1yl)8((naphthalen2ylmethyl)sulfanyl)37dihydro1Hpurine26dione
3METHYL7(2METHYLPROP2ENYL)8(NAPHTHALEN2YLMETHYLSULFANYL)PURINE26DIONE
497231319
CC(=C)Cn1c(SCc2ccc3c(c2)cccc3)nc2c1c(=O)(nH)c(=O)n2C
CC(=C)CN1C2=C(N=C1SCC3=CC4=CC=CC=C4C=C3)N(C(=O)NC2=O)C
InChI=1SC21H20N4O2Sc113(2)11251718(24(3)20(27)2319(17)26)2221(25)2812148915645716(15)1014h410H11112H223H3(H232627)
MFCD03300686
ZINC000002344204
ZINC02344204
ZINC2344204
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