Vitas-M small molecule compound
3-{[(1E)-1-(1-butyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)ethyl]amino}benzoic acid
Catalog ID
STL056349
SMILES CCCCN1C(=O)N=C(/C(=C(\Nc2cccc(c2)C(=O)O)/C)/C1=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 C17H19N3O5 MW 345.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O5/c1-3-4-8-20-15(22)13(14(21)19-17(20)25)10(2)18-12-7-5-6-11(9-12)16(23)24/h5-7,9,18H,3-4,8H2,1-2H3,(H,23,24)(H,19,21,25)/b13-10+InChIKey
GEJMODXCIJRQRQ-JLHYYAGUSA-NSynonyms
3(((1E)1(1butyl246trioxo13diazinan5ylidene)ethyl)amino)benzoicacid
3(((1E)1(1butyl4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)ethyl)amino)benzoicacid
CCCCN1C(=O)C(=C(C)NC2=CC=CC(=C2)C(=O)O)C(=O)NC1=O
CCCCN1C(=O)N=C(C(=C(Nc2cccc(c2)C(=O)O)C)C1=O)O
InChI=1SC17H19N3O5c13482015(22)13(14(21)1917(20)25)10(2)181275611(912)16(23)24h57918H348H212H3(H2324)(H192125)b1310+
MFCD05728217
ZINC000009245724
ZINC9245724
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