Vitas-M small molecule compound
7-(2-fluorobenzyl)-1,3-dimethyl-8-(3-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK054420
SMILES Cc1cccc(c1)Oc1nc2c(n1Cc1ccccc1F)c(=O)n(c(=O)n2C)C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H19FN4O3 MW 394.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN4O3/c1-13-7-6-9-15(11-13)29-20-23-18-17(19(27)25(3)21(28)24(18)2)26(20)12-14-8-4-5-10-16(14)22/h4-11H,12H2,1-3H3InChIKey
AJRBBGNWKKXPRC-UHFFFAOYSA-NSynonyms
7((2FLUOROPHENYL)METHYL)13DIMETHYL8(3METHYLPHENOXY)PURINE26DIONE
7(2FLUOROBENZYL)13DIMETHYL8(3METHYLPHENOXY)37DIHYDRO1HPURINE26DIONE
CC1=CC(=CC=C1)OC2=NC3=C(N2CC4=CC=CC=C4F)C(=O)N(C(=O)N3C)C
Cc1cccc(c1)Oc1nc2c(n1Cc1ccccc1F)c(=O)n(c(=O)n2C)C
InChI=1SC21H19FN4O3c11376915(1113)2920231817(19(27)25(3)21(28)24(18)2)26(20)12148451016(14)22h411H12H213H3
MFCD03033775
STK054420
ZINC000005642047
ZINC05642047
ZINC5642047
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