Vitas-M small molecule compound
methyl 4-{[(4-oxo-1-propyl[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl)acetyl]amino}benzoate
Catalog ID
STL084625
SMILES CCCc1nnc2n1c1ccccc1n(c2=O)CC(=O)Nc1ccc(cc1)C(=O)OC
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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 C22H21N5O4 MW 419.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O4/c1-3-6-18-24-25-20-21(29)26(16-7-4-5-8-17(16)27(18)20)13-19(28)23-15-11-9-14(10-12-15)22(30)31-2/h4-5,7-12H,3,6,13H2,1-2H3,(H,23,28)InChIKey
CGPQTNNSGKYUTM-UHFFFAOYSA-NSynonyms
CCCC1=NN=C2N1C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)C(=O)OC
InChI=1SC22H21N5O4c1361824252021(29)26(16745817(16)27(18)20)1319(28)231511914(101215)22(30)312h45712H3613H212H3(H2328)
methyl4(((4oxo1propyl(124)triazolo(43a)quinoxalin5(4H)yl)acetyl)amino)benzoate
methyl4((2(4oxo1propyl(124)triazolo(43a)quinoxalin5yl)acetyl)amino)benzoate
MFCD18203181
ZINC000057522667
ZINC57522667
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