Vitas-M small molecule compound

7-heptyl-3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK001752
SMILES CCCCCCCn1c(SCC(=O)c2ccccc2)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 C21H26N4O3S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O3S/c1-3-4-5-6-10-13-25-17-18(24(2)20(28)23-19(17)27)22-21(25)29-14-16(26)15-11-8-7-9-12-15/h7-9,11-12H,3-6,10,13-14H2,1-2H3,(H,23,27,28)
InChIKey
HODRTLVFAJZKLR-UHFFFAOYSA-N
Synonyms
303969-16-6
303969166
7HEPTYL3METHYL8((2OXO2PHENYLETHYL)SULFANYL)37DIHYDRO1HPURINE26DIONE
7heptyl3methyl8((2oxo2phenylethyl)thio)1Hpurine26(3H7H)dione
7HEPTYL3METHYL8(2OXO2PHENYLETHYLSULFANYL)37DIHYDROPURINE26DIONE
7HEPTYL3METHYL8(2OXO2PHENYLETHYLTHIO)137TRIHYDROPURINE26DIONE
7HEPTYL3METHYL8PHENACYLSULFANYLPURINE26DIONE
7HEPTYL6HYDROXY3METHYL8((2OXO2PHENYLETHYL)SULFANYL)37DIHYDRO2HPURIN2ONE
CCCCCCCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC21H26N4O3Sc134561013251718(24(2)20(28)2319(17)27)2221(25)291416(26)15118791215h791112H36101314H212H3(H232728)
MFCD01185933
STK001752
ZINC08426352
ZINC8426352

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Available files

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