Vitas-M small molecule compound

4-{[(1E)-1-(1-butyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propyl]amino}benzoic acid

Catalog ID
STK572298
SMILES CCCCN1C(=O)N=C(/C(=C(\Nc2ccc(cc2)C(=O)O)/CC)/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 C18H21N3O5 MW 359.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O5/c1-3-5-10-21-16(23)14(15(22)20-18(21)26)13(4-2)19-12-8-6-11(7-9-12)17(24)25/h6-9,19H,3-5,10H2,1-2H3,(H,24,25)(H,20,22,26)/b14-13+
InChIKey
URJPQRUFCQMAOX-BUHFOSPRSA-N
Synonyms

4(((1E)1(1BUTYL246TRIOXO13DIAZINAN5YLIDENE)PROPYL)AMINO)BENZOICACID
4(((1E)1(1butyl4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)propyl)amino)benzoicacid
CCCCN1C(=O)C(=C(CC)NC2=CC=C(C=C2)C(=O)O)C(=O)NC1=O
CCCCN1C(=O)N=C(C(=C(Nc2ccc(cc2)C(=O)O)CC)C1=O)O
InChI=1SC18H21N3O5c135102116(23)14(15(22)2018(21)26)13(42)19128611(7912)17(24)25h6919H3510H212H3(H2425)(H202226)b1413+
MFCD07198026
ZINC000009009804
ZINC9009804

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Available files

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