Vitas-M small molecule compound

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

Catalog ID
STK527207
SMILES CCCCCCCCCCCCCCCCn1c(SC(CC)C)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 C26H46N4O2S MW 478.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H46N4O2S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30-22-23(27-26(30)33-21(3)6-2)29(4)25(32)28-24(22)31/h21H,5-20H2,1-4H3,(H,28,31,32)
InChIKey
XGEQALSXUGXQGY-UHFFFAOYSA-N
Synonyms
370077-96-6
370077966
7HEXADECYL3METHYL8(METHYLPROPYLTHIO)137TRIHYDROPURINE26DIONE
8(butan2ylsulfanyl)7hexadecyl3methyl37dihydro1Hpurine26dione
8(SECBUTYLSULFANYL)7HEXADECYL3METHYL37DIHYDRO1HPURINE26DIONE
8(secbutylthio)7hexadecyl3methyl1Hpurine26(3H7H)dione
8BUTAN2YLSULFANYL7HEXADECYL3METHYLPURINE26DIONE
8SECBUTYLSULFANYL7HEXADECYL3METHYL37DIHYDROPURINE26DIONE
CCCCCCCCCCCCCCCCn1c(SC(CC)C)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCCCCCCCCCCN1C2=C(N=C1SC(C)CC)N(C(=O)NC2=O)C
InChI=1SC26H46N4O2Sc157891011121314151617181920302223(2726(30)3321(3)62)29(4)25(32)2824(22)31h21H520H214H3(H283132)
MFCD01017639
ZINC000008398518
ZINC000008398523

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Available files

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