Vitas-M small molecule compound

8-(benzylsulfanyl)-7-hexadecyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK528240
SMILES CCCCCCCCCCCCCCCCn1c(SCc2ccccc2)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 C29H44N4O2S MW 512.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H44N4O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-33-25-26(32(2)28(35)31-27(25)34)30-29(33)36-23-24-20-17-16-18-21-24/h16-18,20-21H,3-15,19,22-23H2,1-2H3,(H,31,34,35)
InChIKey
FWDCZFLJBVTPCT-UHFFFAOYSA-N
Synonyms
370072-97-2
370072972
7HEXADECYL3METHYL8(PHENYLMETHYLTHIO)137TRIHYDROPURINE26DIONE
8(benzylsulfanyl)7hexadecyl3methyl37dihydro1Hpurine26dione
8(benzylthio)7hexadecyl3methyl1Hpurine26(3H7H)dione
8BENZYLSULFANYL7HEXADECYL3METHYL37DIHYDROPURINE26DIONE
8BENZYLSULFANYL7HEXADECYL3METHYLPURINE26DIONE
CCCCCCCCCCCCCCCCn1c(SCc2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCCCCCCCCCCN1C2=C(N=C1SCC3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC29H44N4O2Sc134567891011121314151922332526(32(2)28(35)3127(25)34)3029(33)362324201716182124h16182021H315192223H212H3(H313435)
MFCD01079776
ZINC000008398528
ZINC08398528
ZINC8398528

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Available files

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