Vitas-M small molecule compound
methyl 4-({[3-oxo-7-(phenylamino)[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetyl}amino)benzoate
Catalog ID
STL080325
SMILES COC(=O)c1ccc(cc1)NC(=O)Cn1nc2n(c1=O)ccc(n2)Nc1ccccc1
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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 C21H18N6O4 MW 418.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N6O4/c1-31-19(29)14-7-9-16(10-8-14)23-18(28)13-27-21(30)26-12-11-17(24-20(26)25-27)22-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,23,28)(H,22,24,25)InChIKey
HZERZMNMVLQLJX-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)N3C=CC(=NC3=N2)NC4=CC=CC=C4
InChI=1SC21H18N6O4c13119(29)147916(10814)2318(28)132721(30)26121117(2420(26)2527)22155324615h212H13H21H3(H2328)(H222425)
methyl4(((3oxo7(phenylamino)(124)triazolo(43a)pyrimidin2(3H)yl)acetyl)amino)benzoate
methyl4((2(7anilino3oxo(124)triazolo(43a)pyrimidin2yl)acetyl)amino)benzoate
MFCD18201091
ZINC000057507450
ZINC57507450
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