Vitas-M small molecule compound

8-(butan-2-ylsulfanyl)-7-ethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK098720
SMILES CCC(Sc1nc2c(n1CC)c(=O)[nH]c(=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 C12H18N4O2S MW 282.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18N4O2S/c1-5-7(3)19-12-13-9-8(16(12)6-2)10(17)14-11(18)15(9)4/h7H,5-6H2,1-4H3,(H,14,17,18)
InChIKey
BXVGYUBZVRPKIK-UHFFFAOYSA-N
Synonyms
303971-05-3
303971053
7ETHYL3METHYL8((1METHYLPROPYL)SULFANYL)37DIHYDRO1HPURINE26DIONE
7ETHYL3METHYL8(METHYLPROPYLTHIO)137TRIHYDROPURINE26DIONE
8(BUTAN2YLSULFANYL)7ETHYL3METHYL37DIHYDRO1HPURINE26DIONE
8(SECBUTYLTHIO)7ETHYL3METHYL1HPURINE26(3H7H)DIONE
8BUTAN2YLSULFANYL7ETHYL3METHYLPURINE26DIONE
8SECBUTYLSULFANYL7ETHYL3METHYL37DIHYDROPURINE26DIONE
CCC(C)SC1=NC2=C(N1CC)C(=O)NC(=O)N2C
CCC(Sc1nc2c(n1CC)c(=O)(nH)c(=O)n2C)C
InChI=1SC12H18N4O2Sc157(3)19121398(16(12)62)10(17)1411(18)15(9)4h7H56H214H3(H141718)
MFCD01185902
STK098720
ZINC000000040806
ZINC000000040807

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Available files

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