Vitas-M small molecule compound

7-(4-chlorobenzyl)-8-(hexylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK023819
SMILES CCCCCCSc1nc2c(n1Cc1ccc(cc1)Cl)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 C19H23ClN4O2S MW 406.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23ClN4O2S/c1-3-4-5-6-11-27-19-21-16-15(17(25)22-18(26)23(16)2)24(19)12-13-7-9-14(20)10-8-13/h7-10H,3-6,11-12H2,1-2H3,(H,22,25,26)
InChIKey
KRTGBODFLXLTNK-UHFFFAOYSA-N
Synonyms
328072-80-6
328072806
7((4CHLOROPHENYL)METHYL)8HEXYLSULFANYL3METHYLPURINE26DIONE
7((4CHLOROPHENYL)METHYL)8HEXYLTHIO3METHYL137TRIHYDROPURINE26DIONE
7(4CHLOROBENZYL)8(HEXYLSULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7(4chlorobenzyl)8(hexylthio)3methyl1Hpurine26(3H7H)dione
7(4CHLOROBENZYL)8HEXYLSULFANYL3METHYL37DIHYDROPURINE26DIONE
CCCCCCSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C
CCCCCCSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)(nH)c(=O)n2C
InChI=1SC19H23ClN4O2Sc13456112719211615(17(25)2218(26)23(16)2)24(19)12137914(20)10813h710H361112H212H3(H222526)
MFCD01032131
STK023819
ZINC000013577218
ZINC13577218

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Available files

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