Vitas-M small molecule compound

8-(azepan-1-yl)-6-hydroxy-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-2H-purin-2-one

Catalog ID
STK642308
SMILES OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCCCCC1)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 C21H27N5O4 MW 413.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O4/c1-24-18-17(19(28)23-21(24)29)26(20(22-18)25-11-7-2-3-8-12-25)13-15(27)14-30-16-9-5-4-6-10-16/h4-6,9-10,15,27H,2-3,7-8,11-14H2,1H3,(H,23,28,29)
InChIKey
HBPRUXIBKWXSSG-UHFFFAOYSA-N
Synonyms
102838-06-2
102838062
8(azepan1yl)6hydroxy7(2hydroxy3phenoxypropyl)3methyl37dihydro2Hpurin2one
8(AZEPAN1YL)7(2HYDROXY3PHENOXYPROPYL)3METHYL1HPURINE26(3H7H)DIONE
8(AZEPAN1YL)7(2HYDROXY3PHENOXYPROPYL)3METHYLPURINE26DIONE
8AZAPERHYDROEPINYL7(2HYDROXY3PHENOXYPROPYL)3METHYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC(COC4=CC=CC=C4)O
InChI=1SC21H27N5O4c1241817(19(28)2321(24)29)26(20(2218)251172381225)1315(27)14301695461016h469101527H23781114H21H3(H232829)
MFCD18162936
ZINC000000625903
ZINC000000625904

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Available files

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