Vitas-M small molecule compound
1-(4-fluorophenyl)-5-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Catalog ID
STL074478
SMILES Fc1ccc(cc1)n1ncc2c1ncn(c2=O)CC(=O)N1CCOc2c1cc(C)cc2
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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 C22H18FN5O3 MW 419.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18FN5O3/c1-14-2-7-19-18(10-14)27(8-9-31-19)20(29)12-26-13-24-21-17(22(26)30)11-25-28(21)16-5-3-15(23)4-6-16/h2-7,10-11,13H,8-9,12H2,1H3InChIKey
NAKGZOXSCWTDOW-UHFFFAOYSA-NSynonyms
1260927-01-21(4fluorophenyl)5(2(6methyl23dihydro14benzoxazin4yl)2oxoethyl)pyrazolo(34d)pyrimidin4one
1(4fluorophenyl)5(2(6methyl23dihydro4H14benzoxazin4yl)2oxoethyl)15dihydro4Hpyrazolo(34d)pyrimidin4one
1260927012
CC1=CC2=C(C=C1)OCCN2C(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=C(C=C5)F
InChI=1SC22H18FN5O3c114271918(1014)27(893119)20(29)122613242117(22(26)30)112528(21)165315(23)4616h27101113H8912H21H3
MFCD18195856
ZINC000057486549
ZINC57486549
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