Vitas-M small molecule compound
6-hydroxy-3-methyl-8-[(3-oxobutan-2-yl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one
Catalog ID
STK564741
SMILES C=CCn1c(SC(C(=O)C)C)nc2c1c(O)nc(=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 C13H16N4O3S MW 308.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4O3S/c1-5-6-17-9-10(16(4)12(20)15-11(9)19)14-13(17)21-8(3)7(2)18/h5,8H,1,6H2,2-4H3,(H,15,19,20)InChIKey
YIMLBTNQPZAVSF-UHFFFAOYSA-NSynonyms
3METHYL8(1METHYL2OXOPROPYLTHIO)7PROP2ENYL137TRIHYDROPURINE26DIONE
3METHYL8(3OXOBUTAN2YLSULFANYL)7PROP2ENYLPURINE26DIONE
6hydroxy3methyl8((3oxobutan2yl)sulfanyl)7(prop2en1yl)37dihydro2Hpurin2one
7ALLYL3METHYL8(1METHYL2OXOPROPYLSULFANYL)37DIHYDROPURINE26DIONE
CC(C(=O)C)SC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C
InChI=1SC13H16N4O3Sc15617910(16(4)12(20)1511(9)19)1413(17)218(3)7(2)18h58H16H224H3(H151920)
MFCD03801454
ZINC000000376214
ZINC000000376217
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