Vitas-M small molecule compound

3-methyl-7-(2-phenylethyl)-8-(prop-2-en-1-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK085147
SMILES C=CCSc1nc2c(n1CCc1ccccc1)c(=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 C17H18N4O2S MW 342.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O2S/c1-3-11-24-17-18-14-13(15(22)19-16(23)20(14)2)21(17)10-9-12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3,(H,19,22,23)
InChIKey
ONPWMJPDBOMAJN-UHFFFAOYSA-N
Synonyms
332149-58-3
3METHYL7(2PHENYLETHYL)8(PROP2EN1YLSULFANYL)37DIHYDRO1HPURINE26DIONE
3methyl7(2phenylethyl)8prop2enylsulfanylpurine26dione
3METHYL7PHENETHYL8PROP2ENYLSULFANYLPURINE26DIONE
8(ALLYLTHIO)3METHYL7PHENETHYL1HPURINE26(3H7H)DIONE
C=CCSc1nc2c(n1CCc1ccccc1)c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC=C)CCC3=CC=CC=C3
InChI=1SC17H18N4O2Sc13112417181413(15(22)1916(23)20(14)2)21(17)109127546812h38H1911H22H3(H192223)
MFCD01142754
STK085147
ZINC000002262019
ZINC02262019
ZINC2262019

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Available files

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