Vitas-M small molecule compound

3-methyl-7-pentyl-8-[(3-phenylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK805448
SMILES CCCCCn1c(SCCCc2ccccc2)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 C20H26N4O2S MW 386.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O2S/c1-3-4-8-13-24-16-17(23(2)19(26)22-18(16)25)21-20(24)27-14-9-12-15-10-6-5-7-11-15/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3,(H,22,25,26)
InChIKey
IDTALARBJCDYIS-UHFFFAOYSA-N
Synonyms
331841-62-4
331841624
3methyl7pentyl8((3phenylpropyl)sulfanyl)37dihydro1Hpurine26dione
3methyl7pentyl8((3phenylpropyl)thio)1Hpurine26(3H7H)dione
3METHYL7PENTYL8(3PHENYLPROPYLSULFANYL)37DIHYDROPURINE26DIONE
3METHYL7PENTYL8(3PHENYLPROPYLSULFANYL)PURINE26DIONE
3METHYL7PENTYL8(3PHENYLPROPYLTHIO)137TRIHYDROPURINE26DIONE
CCCCCn1c(SCCCc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
CCCCCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC20H26N4O2Sc134813241617(23(2)19(26)2218(16)25)2120(24)271491215106571115h571011H34891214H212H3(H222526)
MFCD01051764
ZINC000002058003
ZINC02058003
ZINC2058003

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Available files

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