Vitas-M small molecule compound

1-(2-chloro-6-fluorobenzyl)-8-(3-methoxyphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK007458
SMILES COc1cccc(c1)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 C21H18ClFN4O4 MW 444.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClFN4O4/c1-25-17-18(24-20(25)31-13-7-4-6-12(10-13)30-3)26(2)21(29)27(19(17)28)11-14-15(22)8-5-9-16(14)23/h4-10H,11H2,1-3H3
InChIKey
SVUBICDIMDPRLU-UHFFFAOYSA-N
Synonyms

1((2CHLORO6FLUOROPHENYL)METHYL)8(3METHOXYPHENOXY)37DIMETHYLPURINE26DIONE
1(2CHLORO6FLUOROBENZYL)8(3METHOXYPHENOXY)37DIMETHYL37DIHYDRO1HPURINE26DIONE
CN1C2=C(N=C1OC3=CC(=CC=C3)OC)N(C(=O)N(C2=O)CC4=C(C=CC=C4Cl)F)C
COc1cccc(c1)Oc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1c(F)cccc1Cl
InChI=1SC21H18ClFN4O4c1251718(2420(25)311374612(1013)303)26(2)21(29)27(19(17)28)111415(22)85916(14)23h410H11H213H3
MFCD08049253
STK007458
ZINC000009886104
ZINC09886104
ZINC9886104

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Available files

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