Vitas-M small molecule compound
7-hexyl-1,3-dimethyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK999366
SMILES CCCCCCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)n(c(=O)n2C)C
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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/c1-4-5-6-10-13-25-17-18(23(2)21(28)24(3)19(17)27)22-20(25)29-14-16(26)15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3InChIKey
WXCUCNAWBWEUHA-UHFFFAOYSA-NSynonyms
487023-56-3487023563
7hexyl13dimethyl8((2oxo2phenylethyl)sulfanyl)37dihydro1Hpurine26dione
7hexyl13dimethyl8((2oxo2phenylethyl)thio)1Hpurine26(3H7H)dione
7HEXYL13DIMETHYL8(2OXO2PHENYLETHYLTHIO)137TRIHYDROPURINE26DIONE
7HEXYL13DIMETHYL8PHENACYLSULFANYLPURINE26DIONE
CCCCCCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C
InChI=1SC21H26N4O3Sc14561013251718(23(2)21(28)24(3)19(17)27)2220(25)291416(26)15118791215h791112H46101314H213H3
MFCD03286552
ZINC000001827306
ZINC01827306
ZINC1827306
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