Vitas-M small molecule compound

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

Catalog ID
STK058892
SMILES CCCn1c(SC(C)C)nc2c1c(=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 C12H18N4O2S MW 282.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H18N4O2S/c1-5-6-16-8-9(13-12(16)19-7(2)3)15(4)11(18)14-10(8)17/h7H,5-6H2,1-4H3,(H,14,17,18)
InChIKey
UMIFRVGZYVLSKA-UHFFFAOYSA-N
Synonyms
331726-31-9
331726319
3METHYL8(METHYLETHYLTHIO)7PROPYL137TRIHYDROPURINE26DIONE
3METHYL8(PROPAN2YLSULFANYL)7PROPYL37DIHYDRO1HPURINE26DIONE
3METHYL8PROPAN2YLSULFANYL7PROPYLPURINE26DIONE
8(ISOPROPYLSULFANYL)3METHYL7PROPYL37DIHYDRO1HPURINE26DIONE
8(isopropylthio)3methyl7propyl1Hpurine26(3H7H)dione
8ISOPROPYLSULFANYL3METHYL7PROPYL37DIHYDROPURINE26DIONE
CCCn1c(SC(C)C)nc2c1c(=O)(nH)c(=O)n2C
CCCN1C2=C(N=C1SC(C)C)N(C(=O)NC2=O)C
InChI=1SC12H18N4O2Sc1561689(1312(16)197(2)3)15(4)11(18)1410(8)17h7H56H214H3(H141718)
MFCD01079326
STK058892
ZINC000000315571
ZINC00315571
ZINC315571

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.