Vitas-M small molecule compound

6-hydroxy-3-methyl-7-pentyl-8-(pyrimidin-2-ylsulfanyl)-3,7-dihydro-2H-purin-2-one

Catalog ID
STL052781
SMILES CCCCCn1c(Sc2ncccn2)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 C15H18N6O2S MW 346.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N6O2S/c1-3-4-5-9-21-10-11(20(2)14(23)19-12(10)22)18-15(21)24-13-16-7-6-8-17-13/h6-8H,3-5,9H2,1-2H3,(H,19,22,23)
InChIKey
MFKJFPPAYPUYDU-UHFFFAOYSA-N
Synonyms
716331-97-4
3METHYL7PENTYL8PYRIMIDIN2YLSULFANYLPURINE26DIONE
3METHYL7PENTYL8PYRIMIDIN2YLTHIO137TRIHYDROPURINE26DIONE
6hydroxy3methyl7pentyl8(pyrimidin2ylsulfanyl)37dihydro2Hpurin2one
716331974
CCCCCN1C2=C(N=C1SC3=NC=CC=N3)N(C(=O)NC2=O)C
InChI=1SC15H18N6O2Sc13459211011(20(2)14(23)1912(10)22)1815(21)2413167681713h68H359H212H3(H192223)
MFCD05738036
ZINC000002407121
ZINC02407121
ZINC2407121

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Available files

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