Vitas-M small molecule compound
7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK540153
SMILES CCc1ccc(cc1)OCC(Cn1c(nc2c1c(=O)[nH]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 C21H28N6O4 MW 428.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N6O4/c1-3-14-4-6-16(7-5-14)31-13-15(28)12-27-17-18(25(2)21(30)24-19(17)29)23-20(27)26-10-8-22-9-11-26/h4-7,15,22,28H,3,8-13H2,1-2H3,(H,24,29,30)InChIKey
MJYAZWAHYKQKGD-UHFFFAOYSA-NSynonyms
335403-13-9335403139
7(3(4ETHYLPHENOXY)2HYDROXYPROPYL)3METHYL8(PIPERAZIN1YL)1HPURINE26(3H7H)DIONE
7(3(4ethylphenoxy)2hydroxypropyl)3methyl8(piperazin1yl)37dihydro1Hpurine26dione
7(3(4ETHYLPHENOXY)2HYDROXYPROPYL)3METHYL8PIPERAZIN1YLPURINE26DIONE
CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2N4CCNCC4)N(C(=O)NC3=O)C)O
CCc1ccc(cc1)OCC(Cn1c(nc2c1c(=O)(nH)c(=O)n2C)N1CCNCC1)O
InChI=1SC21H28N6O4c13144616(7514)311315(28)12271718(25(2)21(30)2419(17)29)2320(27)261082291126h47152228H3813H212H3(H242930)
MFCD02231574
ZINC000005360311
ZINC000005360316
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