Vitas-M small molecule compound
7-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,3-dimethyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK540230
SMILES OC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCNCC1)COc1ccccc1C
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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/c1-14-6-4-5-7-16(14)31-13-15(28)12-27-17-18(24(2)21(30)25(3)19(17)29)23-20(27)26-10-8-22-9-11-26/h4-7,15,22,28H,8-13H2,1-3H3InChIKey
ZJNXYHGVGAVRPG-UHFFFAOYSA-NSynonyms
333305-36-5333305365
7(2hydroxy3(2methylphenoxy)propyl)13dimethyl8(piperazin1yl)37dihydro1Hpurine26dione
7(2HYDROXY3(2METHYLPHENOXY)PROPYL)13DIMETHYL8PIPERAZIN1YLPURINE26DIONE
7(2HYDROXY3(OTOLYLOXY)PROPYL)13DIMETHYL8(PIPERAZIN1YL)1HPURINE26(3H7H)DIONE
CC1=CC=CC=C1OCC(CN2C3=C(N=C2N4CCNCC4)N(C(=O)N(C3=O)C)C)O
InChI=1SC21H28N6O4c114645716(14)311315(28)12271718(24(2)21(30)25(3)19(17)29)2320(27)261082291126h47152228H813H213H3
MFCD02227278
ZINC000005360282
ZINC000005360287
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