Vitas-M small molecule compound
2-{[(2E)-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-4-oxobut-2-enoyl]amino}benzoic acid
Catalog ID
STL181362
SMILES CCn1cc(c(n1)C)C(=O)/C=C/C(=O)Nc1ccccc1C(=O)O
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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 C17H17N3O4 MW 327.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O4/c1-3-20-10-13(11(2)19-20)15(21)8-9-16(22)18-14-7-5-4-6-12(14)17(23)24/h4-10H,3H2,1-2H3,(H,18,22)(H,23,24)/b9-8+InChIKey
NXWKMZIRSRZDLB-CMDGGOBGSA-NSynonyms
1263038-67-01263038670
2(((2E)4(1ethyl3methyl1Hpyrazol4yl)4oxobut2enoyl)amino)benzoicacid
2(((E)4(1ethyl3methylpyrazol4yl)4oxobut2enoyl)amino)benzoicacid
2((2E)4(1ETHYL3METHYLPYRAZOL4YL)4OXOBUT2ENOYLAMINO)BENZOICACID
2(4(1ETHYL3METHYL1HPYRAZOL4YL)4OXOBUT2ENAMIDO)BENZOICACID
CCN1C=C(C(=N1)C)C(=O)C=CC(=O)NC2=CC=CC=C2C(=O)O
CCn1cc(c(n1)C)C(=O)C=CC(=O)Nc1ccccc1C(=O)O
InChI=1SC17H17N3O4c13201013(11(2)1920)15(21)8916(22)1814754612(14)17(23)24h410H3H212H3(H1822)(H2324)b98+
MFCD20760064
ZINC000071785006
ZINC71785006
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