Vitas-M small molecule compound

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

Catalog ID
STK834875
SMILES OC(Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCCC1)COC(C)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 C18H29N5O4 MW 379.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H29N5O4/c1-12(2)27-11-13(24)10-23-14-15(21(3)18(26)20-16(14)25)19-17(23)22-8-6-4-5-7-9-22/h12-13,24H,4-11H2,1-3H3,(H,20,25,26)
InChIKey
SZVLUJRZRUKFJN-UHFFFAOYSA-N
Synonyms
332103-69-2
332103692
8(1AZEPANYL)7(2HYDROXY3ISOPROPOXYPROPYL)3METHYL37DIHYDRO1HPURINE26DIONE
8(azepan1yl)7(2hydroxy3(propan2yloxy)propyl)3methyl37dihydro1Hpurine26dione
8(AZEPAN1YL)7(2HYDROXY3ISOPROPOXYPROPYL)3METHYL1HPURINE26(3H7H)DIONE
8(AZEPAN1YL)7(2HYDROXY3PROPAN2YLOXYPROPYL)3METHYLPURINE26DIONE
8AZAPERHYDROEPINYL7(2HYDROXY3(METHYLETHOXY)PROPYL)3METHYL137TRIHYDROPURINE26DIONE
CC(C)OCC(CN1C2=C(N=C1N3CCCCCC3)N(C(=O)NC2=O)C)O
InChI=1SC18H29N5O4c112(2)271113(24)10231415(21(3)18(26)2016(14)25)1917(23)2286457922h121324H411H213H3(H202526)
MFCD01875494
OC(Cn1c(nc2c1c(=O)(nH)c(=O)n2C)N1CCCCCC1)COC(C)C
ZINC000000633298
ZINC000000850905

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Available files

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