Vitas-M small molecule compound
methyl 2-({[1-(4-fluorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetyl}amino)benzoate
Catalog ID
STL074479
SMILES COC(=O)c1ccccc1NC(=O)Cn1cnc2c(c1=O)cnn2c1ccc(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 C21H16FN5O4 MW 421.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16FN5O4/c1-31-21(30)15-4-2-3-5-17(15)25-18(28)11-26-12-23-19-16(20(26)29)10-24-27(19)14-8-6-13(22)7-9-14/h2-10,12H,11H2,1H3,(H,25,28)InChIKey
YUNDNPGGESHROG-UHFFFAOYSA-NSynonyms
1260910-21-11260910211
COC(=O)C1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)F
InChI=1SC21H16FN5O4c13121(30)15423517(15)2518(28)112612231916(20(26)29)102427(19)148613(22)7914h21012H11H21H3(H2528)
methyl2(((1(4fluorophenyl)4oxo14dihydro5Hpyrazolo(34d)pyrimidin5yl)acetyl)amino)benzoate
methyl2((2(1(4fluorophenyl)4oxopyrazolo(34d)pyrimidin5yl)acetyl)amino)benzoate
MFCD18195857
ZINC000057486550
ZINC57486550
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