Vitas-M small molecule compound
8-(4-chloro-2-methylphenoxy)-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK067072
SMILES Fc1ccc(cc1)Cn1c(Oc2ccc(cc2C)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 C21H18ClFN4O3 MW 428.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClFN4O3/c1-12-10-14(22)6-9-16(12)30-20-24-18-17(19(28)26(3)21(29)25(18)2)27(20)11-13-4-7-15(23)8-5-13/h4-10H,11H2,1-3H3InChIKey
JBFMILHDRRGVJB-UHFFFAOYSA-NSynonyms
8(4CHLORO2METHYLPHENOXY)7((4FLUOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
8(4CHLORO2METHYLPHENOXY)7(4FLUOROBENZYL)13DIMETHYL37DIHYDRO1HPURINE26DIONE
CC1=C(C=CC(=C1)Cl)OC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N(C(=O)N3C)C
Fc1ccc(cc1)Cn1c(Oc2ccc(cc2C)Cl)nc2c1c(=O)n(c(=O)n2C)C
InChI=1SC21H18ClFN4O3c1121014(22)6916(12)3020241817(19(28)26(3)21(29)25(18)2)27(20)11134715(23)8513h410H11H213H3
MFCD05820012
STK067072
ZINC000009554105
ZINC09554105
ZINC9554105
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