Vitas-M small molecule compound
7-[(2E)-but-2-en-1-yl]-6-hydroxy-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-2H-purin-2-one
Catalog ID
STL044172
SMILES C/C=C/Cn1c(SCC(=O)c2ccccc2)nc2c1c(O)nc(=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 C18H18N4O3S MW 370.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O3S/c1-3-4-10-22-14-15(21(2)17(25)20-16(14)24)19-18(22)26-11-13(23)12-8-6-5-7-9-12/h3-9H,10-11H2,1-2H3,(H,20,24,25)/b4-3+InChIKey
XDTNWXDPFBPGRD-ONEGZZNKSA-NSynonyms
306733-02-8306733028
7((2E)but2en1yl)6hydroxy3methyl8((2oxo2phenylethyl)sulfanyl)37dihydro2Hpurin2one
7((2E)BUT2ENYL)3METHYL8(2OXO2PHENYLETHYLTHIO)137TRIHYDROPURINE26DIONE
7((E)BUT2ENYL)3METHYL8PHENACYLSULFANYLPURINE26DIONE
CC=CCn1c(SCC(=O)c2ccccc2)nc2c1c(O)nc(=O)n2C
CC=CCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC18H18N4O3Sc13410221415(21(2)17(25)2016(14)24)1918(22)261113(23)128657912h39H1011H212H3(H202425)b43+
MFCD03802772
ZINC000012647503
ZINC12647503
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