Vitas-M small molecule compound

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

Catalog ID
STL039447
SMILES CCC(Sc1nc2c(n1Cc1ccccc1)c(O)nc(=O)n2C)C

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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 C17H20N4O2S MW 344.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O2S/c1-4-11(2)24-17-18-14-13(15(22)19-16(23)20(14)3)21(17)10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,19,22,23)
InChIKey
KRBAWXYMSROMQM-UHFFFAOYSA-N
Synonyms
327170-26-3
327170263
3METHYL8(METHYLPROPYLTHIO)7BENZYL137TRIHYDROPURINE26DIONE
7benzyl8(butan2ylsulfanyl)6hydroxy3methyl37dihydro2Hpurin2one
7BENZYL8(SECBUTYLTHIO)3METHYL1HPURINE26(3H7H)DIONE
7BENZYL8BUTAN2YLSULFANYL3METHYLPURINE26DIONE
CCC(C)SC1=NC2=C(N1CC3=CC=CC=C3)C(=O)NC(=O)N2C
InChI=1SC17H20N4O2Sc1411(2)2417181413(15(22)1916(23)20(14)3)21(17)10128657912h5911H410H213H3(H192223)
MFCD03794035
ZINC000000496097
ZINC000000496098

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Available files

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