Vitas-M small molecule compound
7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(3-phenylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK806216
SMILES C/C=C/Cn1c(SCCCc2ccccc2)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 C19H22N4O2S MW 370.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O2S/c1-3-4-12-23-15-16(22(2)18(25)21-17(15)24)20-19(23)26-13-8-11-14-9-6-5-7-10-14/h3-7,9-10H,8,11-13H2,1-2H3,(H,21,24,25)/b4-3+InChIKey
MGHRGGHCCMMDND-ONEGZZNKSA-NSynonyms
1164540-96-8(E)7(but2en1yl)3methyl8((3phenylpropyl)thio)1Hpurine26(3H7H)dione
1164540968
7((2E)but2en1yl)3methyl8((3phenylpropyl)sulfanyl)37dihydro1Hpurine26dione
7((E)BUT2ENYL)3METHYL8(3PHENYLPROPYLSULFANYL)PURINE26DIONE
7((E)BUT2ENYL)3METHYL8(3PHENYLPROPYLTHIO)PURINE26DIONE
7((E)BUT2ENYL)3METHYL8(3PHENYLPROPYLTHIO)XANTHINE
7BUT2ENYL3METHYL8(3PHENYLPROPYLSULFANYL)37DIHYDROPURINE26DIONE
CC=CCn1c(SCCCc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
CC=CCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC19H22N4O2Sc13412231516(22(2)18(25)2117(15)24)2019(23)26138111496571014h37910H81113H212H3(H212425)b43+
MFCD01555953
ZINC000012532016
ZINC12532016
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