Vitas-M small molecule compound

8-(azepan-1-yl)-7-(4-chlorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one

Catalog ID
STK635937
SMILES Clc1ccc(cc1)Cn1c(nc2c1c(O)nc(=O)n2C)N1CCCCCC1

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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 C19H22ClN5O2 MW 387.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22ClN5O2/c1-23-16-15(17(26)22-19(23)27)25(12-13-6-8-14(20)9-7-13)18(21-16)24-10-4-2-3-5-11-24/h6-9H,2-5,10-12H2,1H3,(H,22,26,27)
InChIKey
UQRYSQOPHWBNTF-UHFFFAOYSA-N
Synonyms
313479-87-7
8(AZEPAN1YL)7((4CHLOROPHENYL)METHYL)3METHYLPURINE26DIONE
8(AZEPAN1YL)7(4CHLOROBENZYL)3METHYL1HPURINE26(3H7H)DIONE
8(AZEPAN1YL)7(4CHLOROBENZYL)3METHYL37DIHYDRO1HPURINE26DIONE
8(AZEPAN1YL)7(4CHLOROBENZYL)6HYDROXY3METHYL37DIHYDRO2HPURIN2ONE
8AZEPAN1YL7(4CHLOROBENZYL)3METHYL37DIHYDROPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CC4=CC=C(C=C4)Cl
InChI=1SC19H22ClN5O2c1231615(17(26)2219(23)27)25(12136814(20)9713)18(2116)241042351124h69H251012H21H3(H222627)
MFCD18160902
ZINC00728178
ZINC728178

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Available files

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