Vitas-M small molecule compound
8-(2-chlorophenoxy)-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL380350
SMILES CCCCCCCn1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=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 C20H25ClN4O3 MW 404.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25ClN4O3/c1-4-5-6-7-10-13-25-16-17(23(2)20(27)24(3)18(16)26)22-19(25)28-15-12-9-8-11-14(15)21/h8-9,11-12H,4-7,10,13H2,1-3H3InChIKey
SWSWRUMWCVCUJM-UHFFFAOYSA-NSynonyms
8(2chlorophenoxy)7heptyl13dimethyl37dihydro1Hpurine26dione
8(2CHLOROPHENOXY)7HEPTYL13DIMETHYLPURINE26DIONE
CCCCCCCN1C2=C(N=C1OC3=CC=CC=C3Cl)N(C(=O)N(C2=O)C)C
InChI=1SC20H25ClN4O3c145671013251617(23(2)20(27)24(3)18(16)26)2219(25)281512981114(15)21h891112H471013H213H3
MFCD04091300
ZINC000008426071
ZINC08426071
ZINC8426071
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