Vitas-M small molecule compound

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

Catalog ID
STK805713
SMILES Cn1c(=O)[nH]c(=O)c2c1nc(n2Cc1ccccc1)SCCCc1ccccc1

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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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-25-19-18(20(27)24-21(25)28)26(15-17-11-6-3-7-12-17)22(23-19)29-14-8-13-16-9-4-2-5-10-16/h2-7,9-12H,8,13-15H2,1H3,(H,24,27,28)
InChIKey
SKWZFSXSICRTRO-UHFFFAOYSA-N
Synonyms
331841-68-0
331841680
3METHYL7BENZYL8(3PHENYLPROPYLTHIO)137TRIHYDROPURINE26DIONE
7benzyl3methyl8((3phenylpropyl)sulfanyl)37dihydro1Hpurine26dione
7benzyl3methyl8((3phenylpropyl)thio)1Hpurine26(3H7H)dione
7BENZYL3METHYL8(3PHENYLPROPYLSULFANYL)37DIHYDROPURINE26DIONE
7BENZYL3METHYL8(3PHENYLPROPYLSULFANYL)PURINE26DIONE
Cn1c(=O)(nH)c(=O)c2c1nc(n2Cc1ccccc1)SCCCc1ccccc1
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCC3=CC=CC=C3)CC4=CC=CC=C4
InChI=1SC22H22N4O2Sc1251918(20(27)2421(25)28)26(1517116371217)22(2319)29148131694251016h27912H81315H21H3(H242728)
MFCD01051775
ZINC000002058004
ZINC02058004
ZINC2058004

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Available files

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