Vitas-M small molecule compound
8-(azepan-1-yl)-6-hydroxy-7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STK571840
SMILES OC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCCCCC1)COc1ccc(cc1)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 C22H29N5O4 MW 427.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N5O4/c1-15-7-9-17(10-8-15)31-14-16(28)13-27-18-19(25(2)22(30)24-20(18)29)23-21(27)26-11-5-3-4-6-12-26/h7-10,16,28H,3-6,11-14H2,1-2H3,(H,24,29,30)InChIKey
ZKBFZZVOBNMNKK-UHFFFAOYSA-NSynonyms
849922-45-88(azepan1yl)6hydroxy7(2hydroxy3(4methylphenoxy)propyl)3methyl37dihydro2Hpurin2one
8(AZEPAN1YL)7(2HYDROXY3(4METHYLPHENOXY)PROPYL)3METHYLPURINE26DIONE
849922458
8AZEPAN1YL7(2HYDROXY3(4METHYLPHENOXY)PROPYL)3METHYL37DIHYDRO1HPURINE26DIONE
CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2N4CCCCCC4)N(C(=O)NC3=O)C)O
InChI=1SC22H29N5O4c1157917(10815)311416(28)13271819(25(2)22(30)2420(18)29)2321(27)261153461226h7101628H361114H212H3(H242930)
MFCD07199120
ZINC000013806211
ZINC000013806214
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