Vitas-M small molecule compound
3-methyl-8-[(2-phenylethyl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK805915
SMILES C=CCn1c(SCCc2ccccc2)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 C17H18N4O2S MW 342.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O2S/c1-3-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-9-12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3,(H,19,22,23)InChIKey
LBTKJZLUWPZJDQ-UHFFFAOYSA-NSynonyms
313470-38-1313470381
3methyl8((2phenylethyl)sulfanyl)7(prop2en1yl)37dihydro1Hpurine26dione
3methyl8(2phenylethylsulfanyl)7prop2enylpurine26dione
3METHYL8(2PHENYLETHYLTHIO)7PROP2ENYL137TRIHYDROPURINE26DIONE
3METHYL8PHENETHYLSULFANYL7PROP2ENYLPURINE26DIONE
7ALLYL3METHYL8(PHENETHYLTHIO)1HPURINE26(3H7H)DIONE
7ALLYL3METHYL8PHENETHYLSULFANYL37DIHYDROPURINE26DIONE
C=CCn1c(SCCc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCC3=CC=CC=C3)CC=C
InChI=1SC17H18N4O2Sc1310211314(20(2)16(23)1915(13)22)1817(21)24119127546812h38H1911H22H3(H192223)
MFCD01051779
ZINC000000092994
ZINC00092994
ZINC92994
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