Vitas-M small molecule compound
3-methyl-8-[(3-methylbenzyl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK841762
SMILES C=CCn1c(SCc2cccc(c2)C)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/c1-4-8-21-13-14(20(3)16(23)19-15(13)22)18-17(21)24-10-12-7-5-6-11(2)9-12/h4-7,9H,1,8,10H2,2-3H3,(H,19,22,23)InChIKey
KQOOFOZHVYUVBK-UHFFFAOYSA-NSynonyms
442865-21-63methyl8((3methylbenzyl)sulfanyl)7(prop2en1yl)37dihydro1Hpurine26dione
3METHYL8((3METHYLPHENYL)METHYLSULFANYL)7PROP2ENYLPURINE26DIONE
3METHYL8((3METHYLPHENYL)METHYLTHIO)7PROP2ENYL137TRIHYDROPURINE26DIONE
442865216
7ALLYL3METHYL8((3METHYLBENZYL)THIO)1HPURINE26(3H7H)DIONE
7ALLYL3METHYL8(3METHYLBENZYLSULFANYL)37DIHYDROPURINE26DIONE
C=CCn1c(SCc2cccc(c2)C)nc2c1c(=O)(nH)c(=O)n2C
CC1=CC(=CC=C1)CSC2=NC3=C(N2CC=C)C(=O)NC(=O)N3C
InChI=1SC17H18N4O2Sc148211314(20(3)16(23)1915(13)22)1817(21)24101275611(2)912h479H1810H223H3(H192223)
MFCD03302510
ZINC000000079475
ZINC00079475
ZINC79475
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