Vitas-M small molecule compound
1-(2-chloro-6-fluorobenzyl)-8-(4-ethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK011007
SMILES CCc1ccc(cc1)Oc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1c(F)cccc1Cl
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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 C22H20ClFN4O3 MW 442.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClFN4O3/c1-4-13-8-10-14(11-9-13)31-21-25-19-18(26(21)2)20(29)28(22(30)27(19)3)12-15-16(23)6-5-7-17(15)24/h5-11H,4,12H2,1-3H3InChIKey
ASKVYIONTDLZON-UHFFFAOYSA-NSynonyms
1((2CHLORO6FLUOROPHENYL)METHYL)8(4ETHYLPHENOXY)37DIMETHYLPURINE26DIONE
1(2CHLORO6FLUOROBENZYL)8(4ETHYLPHENOXY)37DIMETHYL37DIHYDRO1HPURINE26DIONE
CCC1=CC=C(C=C1)OC2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=C(C=CC=C4Cl)F
CCc1ccc(cc1)Oc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1c(F)cccc1Cl
InChI=1SC22H20ClFN4O3c141381014(11913)3121251918(26(21)2)20(29)28(22(30)27(19)3)121516(23)65717(15)24h511H412H213H3
MFCD08049399
STK011007
ZINC000009886103
ZINC09886103
ZINC9886103
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