Vitas-M small molecule compound
3-methyl-7-(3-methylbenzyl)-8-(prop-2-en-1-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK700832
SMILES C=CCSc1nc2c(n1Cc1cccc(c1)C)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/c1-4-8-24-17-18-14-13(15(22)19-16(23)20(14)3)21(17)10-12-7-5-6-11(2)9-12/h4-7,9H,1,8,10H2,2-3H3,(H,19,22,23)InChIKey
HCYHCCQXTCTYCU-UHFFFAOYSA-NSynonyms
303973-29-7303973297
3METHYL7((3METHYLPHENYL)METHYL)8PROP2ENYLSULFANYLPURINE26DIONE
3METHYL7((3METHYLPHENYL)METHYL)8PROP2ENYLTHIO137TRIHYDROPURINE26DIONE
3methyl7(3methylbenzyl)8(prop2en1ylsulfanyl)37dihydro1Hpurine26dione
8(allylthio)3methyl7(3methylbenzyl)1Hpurine26(3H7H)dione
8ALLYLSULFANYL3METHYL7(3METHYLBENZYL)37DIHYDROPURINE26DIONE
C=CCSc1nc2c(n1Cc1cccc(c1)C)c(=O)(nH)c(=O)n2C
CC1=CC(=CC=C1)CN2C3=C(N=C2SCC=C)N(C(=O)NC3=O)C
InChI=1SC17H18N4O2Sc1482417181413(15(22)1916(23)20(14)3)21(17)101275611(2)912h479H1810H223H3(H192223)
MFCD01186396
ZINC000012648087
ZINC12648087
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