Vitas-M small molecule compound

7-(2-hydroxy-3-phenoxypropyl)-8-[(2-hydroxypropyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK009873
SMILES OC(Cn1c(SCC(O)C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1

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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 C18H22N4O5S MW 406.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O5S/c1-11(23)10-28-18-19-15-14(16(25)20-17(26)21(15)2)22(18)8-12(24)9-27-13-6-4-3-5-7-13/h3-7,11-12,23-24H,8-10H2,1-2H3,(H,20,25,26)
InChIKey
ZARUYEPTEWJLFB-UHFFFAOYSA-N
Synonyms
303970-37-8
6HYDROXY7(2HYDROXY3PHENOXYPROPYL)8((2HYDROXYPROPYL)SULFANYL)3METHYL37DIHYDRO2HPURIN2ONE
7(2HYDROXY3PHENOXYPROPYL)8((2HYDROXYPROPYL)SULFANYL)3METHYL37DIHYDRO1HPURINE26DIONE
7(2hydroxy3phenoxypropyl)8((2hydroxypropyl)thio)3methyl1Hpurine26(3H7H)dione
7(2HYDROXY3PHENOXYPROPYL)8(2HYDROXYPROPYLSULFANYL)3METHYLPURINE26DIONE
7(2HYDROXY3PHENOXYPROPYL)8(2HYDROXYPROPYLTHIO)3METHYL137TRIHYDROPURINE26DIONE
CC(CSC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C)O
InChI=1SC18H22N4O5Sc111(23)102818191514(16(25)2017(26)21(15)2)22(18)812(24)927136435713h3711122324H810H212H3(H202526)
MFCD01185889
OC(Cn1c(SCC(O)C)nc2c1c(=O)(nH)c(=O)n2C)COc1ccccc1
STK009873
ZINC000000839373
ZINC000000839381

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.