Vitas-M small molecule compound
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK539724
SMILES Clc1ccc(cc1)OCC(Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCNCC1)O
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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 C20H25ClN6O4 MW 448.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25ClN6O4/c1-24-17-16(18(29)25(2)20(24)30)27(19(23-17)26-9-7-22-8-10-26)11-14(28)12-31-15-5-3-13(21)4-6-15/h3-6,14,22,28H,7-12H2,1-2H3InChIKey
CSTODHRMIWIWEP-UHFFFAOYSA-NSynonyms
7(3(4chlorophenoxy)2hydroxypropyl)13dimethyl8(piperazin1yl)1Hpurine26(3H7H)dione
7(3(4chlorophenoxy)2hydroxypropyl)13dimethyl8(piperazin1yl)37dihydro1Hpurine26dione
7(3(4CHLOROPHENOXY)2HYDROXYPROPYL)13DIMETHYL8PIPERAZIN1YLPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC(COC4=CC=C(C=C4)Cl)O
InChI=1SC20H25ClN6O4c1241716(18(29)25(2)20(24)30)27(19(2317)26972281026)1114(28)1231155313(21)4615h36142228H712H212H3
MFCD02227285
ZINC000004641215
ZINC000005360294
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