Vitas-M small molecule compound

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

Catalog ID
STK529075
SMILES CCCCCCCCCCCCCCCCn1c(SCCCCCC)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 C28H50N4O2S MW 506.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H50N4O2S/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-22-32-24-25(31(3)27(34)30-26(24)33)29-28(32)35-23-21-9-7-5-2/h4-23H2,1-3H3,(H,30,33,34)
InChIKey
ROLLXNBRPZKSBC-UHFFFAOYSA-N
Synonyms
327169-46-0
327169460
7hexadecyl8(hexylsulfanyl)3methyl37dihydro1Hpurine26dione
7hexadecyl8(hexylthio)3methyl1Hpurine26(3H7H)dione
7HEXADECYL8HEXYLSULFANYL3METHYL37DIHYDROPURINE26DIONE
7HEXADECYL8HEXYLSULFANYL3METHYLPURINE26DIONE
7HEXADECYL8HEXYLTHIO3METHYL137TRIHYDROPURINE26DIONE
CCCCCCCCCCCCCCCCn1c(SCCCCCC)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCCCCCCCCCCN1C2=C(N=C1SCCCCCC)N(C(=O)NC2=O)C
InChI=1SC28H50N4O2Sc1468101112131415161718192022322425(31(3)27(34)3026(24)33)2928(32)3523219752h423H213H3(H303334)
MFCD01017641
ZINC000008398548
ZINC8398548

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Available files

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