Vitas-M small molecule compound

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

Catalog ID
STK700483
SMILES CCCCCCn1c(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 C21H28N4O2S MW 400.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O2S/c1-3-4-5-9-14-25-17-18(24(2)20(27)23-19(17)26)22-21(25)28-15-10-13-16-11-7-6-8-12-16/h6-8,11-12H,3-5,9-10,13-15H2,1-2H3,(H,23,26,27)
InChIKey
BKWIIXKFFDAUAK-UHFFFAOYSA-N
Synonyms
330181-61-8
330181618
7hexyl3methyl8((3phenylpropyl)sulfanyl)37dihydro1Hpurine26dione
7hexyl3methyl8((3phenylpropyl)thio)1Hpurine26(3H7H)dione
7HEXYL3METHYL8(3PHENYLPROPYLSULFANYL)37DIHYDROPURINE26DIONE
7HEXYL3METHYL8(3PHENYLPROPYLSULFANYL)PURINE26DIONE
7HEXYL3METHYL8(3PHENYLPROPYLTHIO)137TRIHYDROPURINE26DIONE
CCCCCCn1c(SCCCc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC21H28N4O2Sc1345914251718(24(2)20(27)2319(17)26)2221(25)2815101316117681216h681112H359101315H212H3(H232627)
MFCD01186356
ZINC000012373960
ZINC12373960

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Available files

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