Vitas-M small molecule compound
7-benzyl-8-(but-3-en-2-ylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK544237
SMILES C=CC(Sc1nc2c(n1Cc1ccccc1)c(=O)[nH]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 C17H18N4O2S MW 342.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O2S/c1-4-11(2)24-17-18-14-13(15(22)19-16(23)20(14)3)21(17)10-12-8-6-5-7-9-12/h4-9,11H,1,10H2,2-3H3,(H,19,22,23)InChIKey
QSRVJEVXKKHSJD-UHFFFAOYSA-NSynonyms
488715-16-8488715168
7benzyl8(but3en2ylsulfanyl)3methyl37dihydro1Hpurine26dione
7benzyl8(but3en2ylthio)3methyl1Hpurine26(3H7H)dione
7BENZYL8BUT3EN2YLSULFANYL3METHYLPURINE26DIONE
C=CC(Sc1nc2c(n1Cc1ccccc1)c(=O)(nH)c(=O)n2C)C
CC(C=C)SC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C
InChI=1SC17H18N4O2Sc1411(2)2417181413(15(22)1916(23)20(14)3)21(17)10128657912h4911H110H223H3(H192223)
MFCD03290915
ZINC000000390103
ZINC000000390104
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