Vitas-M small molecule compound
ethyl 4-[3-(4-fluorobenzyl)-1-methyl-2,4-dioxo-1,2,3,4,6,7-hexahydro-8H-imidazo[2,1-f]purin-8-yl]benzoate
Catalog ID
STK588887
SMILES CCOC(=O)c1ccc(cc1)N1CCn2c1nc1c2c(=O)n(c(=O)n1C)Cc1ccc(cc1)F
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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 C24H22FN5O4 MW 463.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22FN5O4/c1-3-34-22(32)16-6-10-18(11-7-16)28-12-13-29-19-20(26-23(28)29)27(2)24(33)30(21(19)31)14-15-4-8-17(25)9-5-15/h4-11H,3,12-14H2,1-2H3InChIKey
BZNDSIHQZVUBEK-UHFFFAOYSA-NSynonyms
893961-41-6893961416
CCOC(=O)C1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC5=CC=C(C=C5)F
ETHYL4(2((4FLUOROPHENYL)METHYL)4METHYL13DIOXO78DIHYDROPURINO(78A)IMIDAZOL6YL)BENZOATE
ethyl4(3(4fluorobenzyl)1methyl24dioxo123467hexahydro8Himidazo(21f)purin8yl)benzoate
ethyl4(3(4fluorobenzyl)1methyl24dioxo3467tetrahydro1Himidazo(21f)purin8(2H)yl)benzoate
InChI=1SC24H22FN5O4c133422(32)1661018(11716)281213291920(2623(28)29)27(2)24(33)30(21(19)31)14154817(25)9515h411H31214H212H3
MFCD06594836
ZINC000013282751
ZINC13282751
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