Vitas-M small molecule compound
8-(benzylamino)-6-hydroxy-7-(2-hydroxy-2-phenylethyl)-3-methyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STK599881
SMILES OC(c1ccccc1)Cn1c(NCc2ccccc2)nc2c1c(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 C21H21N5O3 MW 391.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3/c1-25-18-17(19(28)24-21(25)29)26(13-16(27)15-10-6-3-7-11-15)20(23-18)22-12-14-8-4-2-5-9-14/h2-11,16,27H,12-13H2,1H3,(H,22,23)(H,24,28,29)InChIKey
RLVHUJNTULLDLX-UHFFFAOYSA-NSynonyms
862485-57-28(benzylamino)6hydroxy7(2hydroxy2phenylethyl)3methyl37dihydro2Hpurin2one
8(BENZYLAMINO)7(2HYDROXY2PHENYLETHYL)3METHYLPURINE26DIONE
862485572
CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3)CC(C4=CC=CC=C4)O
InChI=1SC21H21N5O3c1251817(19(28)2421(25)29)26(1316(27)15106371115)20(2318)2212148425914h2111627H1213H21H3(H2223)(H242829)
MFCD07207480
ZINC000002702037
ZINC000037867964
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