Vitas-M small molecule compound

3-methyl-7-octyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK528866
SMILES CCCCCCCCSc1nc2c(n1CCCCCCCC)c(=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 C22H38N4O2S MW 422.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H38N4O2S/c1-4-6-8-10-12-14-16-26-18-19(25(3)21(28)24-20(18)27)23-22(26)29-17-15-13-11-9-7-5-2/h4-17H2,1-3H3,(H,24,27,28)
InChIKey
ZUPVYXCKPPILLH-UHFFFAOYSA-N
Synonyms
316359-25-8
316359258
3methyl7octyl8(octylsulfanyl)37dihydro1Hpurine26dione
3methyl7octyl8(octylthio)1Hpurine26(3H7H)dione
3METHYL7OCTYL8OCTYLSULFANYL37DIHYDROPURINE26DIONE
3METHYL7OCTYL8OCTYLSULFANYLPURINE26DIONE
3METHYL7OCTYL8OCTYLTHIO137TRIHYDROPURINE26DIONE
CCCCCCCCN1C2=C(N=C1SCCCCCCCC)N(C(=O)NC2=O)C
CCCCCCCCSc1nc2c(n1CCCCCCCC)c(=O)(nH)c(=O)n2C
InChI=1SC22H38N4O2Sc146810121416261819(25(3)21(28)2420(18)27)2322(26)29171513119752h417H213H3(H242728)
MFCD01080084
ZINC000008398600
ZINC08398600
ZINC8398600

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Available files

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