Vitas-M small molecule compound
6-hydroxy-8-[4-(2-hydroxyethyl)piperazin-1-yl]-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STK589767
SMILES OCCN1CCN(CC1)c1nc2c(n1CCc1ccc(cc1)OC)c(O)nc(=O)n2C
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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 C21H28N6O4 MW 428.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N6O4/c1-24-18-17(19(29)23-21(24)30)27(8-7-15-3-5-16(31-2)6-4-15)20(22-18)26-11-9-25(10-12-26)13-14-28/h3-6,28H,7-14H2,1-2H3,(H,23,29,30)InChIKey
IAXUTSOXFKKJLU-UHFFFAOYSA-NSynonyms
850729-24-76hydroxy8(4(2hydroxyethyl)piperazin1yl)7(2(4methoxyphenyl)ethyl)3methyl37dihydro2Hpurin2one
8(4(2HYDROXYETHYL)PIPERAZIN1YL)7(2(4METHOXYPHENYL)ETHYL)3METHYL37DIHYDRO1HPURINE26DIONE
8(4(2HYDROXYETHYL)PIPERAZIN1YL)7(2(4METHOXYPHENYL)ETHYL)3METHYLPURINE26DIONE
850729247
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CCO)CCC4=CC=C(C=C4)OC
InChI=1SC21H28N6O4c1241817(19(29)2321(24)30)27(87153516(312)6415)20(2218)2611925(101226)131428h3628H714H212H3(H232930)
MFCD07209320
ZINC000020479380
ZINC20479380
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