Vitas-M small molecule compound

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

Catalog ID
STK009161
SMILES OC(Cn1c(S)nc2c1c(=O)[nH]c(=O)n2C)COc1cccc2c1cccc2

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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 C19H18N4O4S MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O4S/c1-22-16-15(17(25)21-18(22)26)23(19(28)20-16)9-12(24)10-27-14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12,24H,9-10H2,1H3,(H,20,28)(H,21,25,26)
InChIKey
XEJQFHBXGOLXPU-UHFFFAOYSA-N
Synonyms
371932-61-5
371932615
6HYDROXY7(2HYDROXY3(NAPHTHALEN1YLOXY)PROPYL)3METHYL8SULFANYL37DIHYDRO2HPURIN2ONE
7(2HYDROXY3(NAPHTHALEN1YLOXY)PROPYL)3METHYL8SULFANYL37DIHYDRO1HPURINE26DIONE
7(2hydroxy3(naphthalen1yloxy)propyl)8mercapto3methyl1Hpurine26(3H7H)dione
7(2HYDROXY3NAPHTHALEN1YLOXYPROPYL)3METHYL8SULFANYLIDENE9HPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC(COC3=CC=CC4=CC=CC=C43)O
InChI=1SC19H18N4O4Sc1221615(17(25)2118(22)26)23(19(28)2016)912(24)10271484611523713(11)14h281224H910H21H3(H2028)(H212526)
MFCD01051175
OC(Cn1c(S)nc2c1c(=O)(nH)c(=O)n2C)COc1cccc2c1cccc2
STK009161
ZINC000100699039
ZINC000100699042

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Available files

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