Vitas-M small molecule compound

7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-8-(pentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK072424
SMILES CCCCCSc1nc2c(n1CC(COc1cccc3c1cccc3)O)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 C24H28N4O4S MW 468.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O4S/c1-3-4-7-13-33-24-25-21-20(22(30)26-23(31)27(21)2)28(24)14-17(29)15-32-19-12-8-10-16-9-5-6-11-18(16)19/h5-6,8-12,17,29H,3-4,7,13-15H2,1-2H3,(H,26,30,31)
InChIKey
OEWBTIOQBHXXKA-UHFFFAOYSA-N
Synonyms
303970-38-9
6HYDROXY7(2HYDROXY3(NAPHTHALEN1YLOXY)PROPYL)3METHYL8(PENTYLSULFANYL)37DIHYDRO2HPURIN2ONE
7(2HYDROXY3(NAPHTHALEN1YLOXY)PROPYL)3METHYL8(PENTYLSULFANYL)37DIHYDRO1HPURINE26DIONE
7(2hydroxy3(naphthalen1yloxy)propyl)3methyl8(pentylthio)1Hpurine26(3H7H)dione
7(2HYDROXY3NAPHTHALEN1YLOXYPROPYL)3METHYL8PENTYLSULFANYLPURINE26DIONE
7(2HYDROXY3NAPHTHYLOXYPROPYL)3METHYL8PENTYLTHIO137TRIHYDROPURINE26DIONE
CCCCCSC1=NC2=C(N1CC(COC3=CC=CC4=CC=CC=C43)O)C(=O)NC(=O)N2C
CCCCCSc1nc2c(n1CC(COc1cccc3c1cccc3)O)c(=O)(nH)c(=O)n2C
InChI=1SC24H28N4O4Sc1347133324252120(22(30)2623(31)27(21)2)28(24)1417(29)15321912810169561118(16)19h568121729H3471315H212H3(H263031)
MFCD01555396
STK072424
ZINC000006149695
ZINC000006149699

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Available files

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