Vitas-M small molecule compound
8-(benzylamino)-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK061715
SMILES Fc1cccc(c1Cn1c(NCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)Cl
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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 C21H19ClFN5O2 MW 427.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClFN5O2/c1-26-18-17(19(29)27(2)21(26)30)28(12-14-15(22)9-6-10-16(14)23)20(25-18)24-11-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,24,25)InChIKey
GDOPQLOPLMUMJN-UHFFFAOYSA-NSynonyms
309938-06-5309938065
8(BENZYLAMINO)7((2CHLORO6FLUOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
8(benzylamino)7(2chloro6fluorobenzyl)13dimethyl1Hpurine26(3H7H)dione
8(BENZYLAMINO)7(2CHLORO6FLUOROBENZYL)13DIMETHYL37DIHYDRO1HPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC4=C(C=CC=C4Cl)F
Fc1cccc(c1Cn1c(NCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C)Cl
InChI=1SC21H19ClFN5O2c1261817(19(29)27(2)21(26)30)28(121415(22)961016(14)23)20(2518)2411137435813h310H1112H212H3(H2425)
MFCD01554254
STK061715
ZINC000008926237
ZINC08926237
ZINC8926237
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