Vitas-M small molecule compound

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

Catalog ID
STK631875
SMILES CCCCCCCCCn1c(SC(CC)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 C19H32N4O2S MW 380.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H32N4O2S/c1-5-7-8-9-10-11-12-13-23-15-16(20-19(23)26-14(3)6-2)22(4)18(25)21-17(15)24/h14H,5-13H2,1-4H3,(H,21,24,25)
InChIKey
HCSKCZJAJYIPFM-UHFFFAOYSA-N
Synonyms
327167-77-1
327167771
3METHYL8(METHYLPROPYLTHIO)7NONYL137TRIHYDROPURINE26DIONE
8(butan2ylsulfanyl)6hydroxy3methyl7nonyl37dihydro2Hpurin2one
8BUTAN2YLSULFANYL3METHYL7NONYLPURINE26DIONE
8SECBUTYLSULFANYL3METHYL7NONYL37DIHYDROPURINE26DIONE
CCCCCCCCCN1C2=C(N=C1SC(C)CC)N(C(=O)NC2=O)C
InChI=1SC19H32N4O2Sc1578910111213231516(2019(23)2614(3)62)22(4)18(25)2117(15)24h14H513H214H3(H212425)
MFCD18159603
ZINC000097944168
ZINC000097944169

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Available files

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