Vitas-M small molecule compound

7-(2-chlorobenzyl)-8-(heptylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK537973
SMILES CCCCCCCSc1nc2c(n1Cc1ccccc1Cl)c(=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 C21H27ClN4O2S MW 434.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN4O2S/c1-4-5-6-7-10-13-29-20-23-18-17(19(27)25(3)21(28)24(18)2)26(20)14-15-11-8-9-12-16(15)22/h8-9,11-12H,4-7,10,13-14H2,1-3H3
InChIKey
YTUILABSUJNXHW-UHFFFAOYSA-N
Synonyms

372972924
7((2CHLOROPHENYL)METHYL)8HEPTYLSULFANYL13DIMETHYLPURINE26DIONE
7((2CHLOROPHENYL)METHYL)8HEPTYLTHIO13DIMETHYL137TRIHYDROPURINE26DIONE
7(2chlorobenzyl)8(heptylsulfanyl)13dimethyl37dihydro1Hpurine26dione
7(2chlorobenzyl)8(heptylthio)13dimethyl1Hpurine26(3H7H)dione
CCCCCCCSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C
InChI=1SC21H27ClN4O2Sc1456710132920231817(19(27)25(3)21(28)24(18)2)26(20)141511891216(15)22h891112H47101314H213H3
MFCD01955128
ZINC000100724055
ZINC100724055

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Available files

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