Vitas-M small molecule compound
8-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK766909
SMILES C=CCn1c(Oc2ccc(cc2)Oc2ncc(cc2Cl)Cl)nc2c1c(=O)n(c(=O)n2C)C
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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 C21H17Cl2N5O4 MW 474.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl2N5O4/c1-4-9-28-16-17(26(2)21(30)27(3)19(16)29)25-20(28)32-14-7-5-13(6-8-14)31-18-15(23)10-12(22)11-24-18/h4-8,10-11H,1,9H2,2-3H3InChIKey
HWIBBSOGRIWPPQ-UHFFFAOYSA-NSynonyms
8(4((35dichloropyridin2yl)oxy)phenoxy)13dimethyl7(prop2en1yl)37dihydro1Hpurine26dione
8(4(35DICHLOROPYRIDIN2YL)OXYPHENOXY)13DIMETHYL7PROP2ENYLPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=C(C=C3)OC4=C(C=C(C=N4)Cl)Cl)CC=C
InChI=1SC21H17Cl2N5O4c149281617(26(2)21(30)27(3)19(16)29)2520(28)32147513(6814)311815(23)1012(22)112418h481011H19H223H3
MFCD03018074
ZINC000000718562
ZINC00718562
ZINC718562
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