Vitas-M small molecule compound
3-(5-{(E)-[1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-4-methylbenzoic acid
Catalog ID
STK176695
SMILES OC(=O)c1ccc(c(c1)c1ccc(o1)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)C)C
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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 C25H20N2O6 MW 444.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O6/c1-13-5-7-17(10-15(13)3)27-23(29)20(22(28)26-25(27)32)12-18-8-9-21(33-18)19-11-16(24(30)31)6-4-14(19)2/h4-12H,1-3H3,(H,30,31)(H,26,28,32)/b20-12+InChIKey
ZWBKKOXXNQKGDN-UDWIEESQSA-NSynonyms
(E)3(5((1(34dimethylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)4methylbenzoicacid
3(5((E)(1(34DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)4METHYLBENZOICACID
3(5((E)(1(34DIMETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)4METHYLBENZOICACID
3(5((E)(1(34DIMETHYLPHENYL)4HYDROXY26DIOXO16DIHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)4METHYLBENZOICACID
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)C(=O)O)C)C(=O)NC2=O)C
InChI=1SC25H20N2O6c1135717(1015(13)3)2723(29)20(22(28)2625(27)32)12188921(3318)191116(24(30)31)6414(19)2h412H13H3(H3031)(H262832)b2012+
MFCD02628732
OC(=O)c1ccc(c(c1)c1ccc(o1)C=C1C(=O)NC(=O)N(C1=O)c1ccc(c(c1)C)C)C
ZINC13785749
Check stock
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Check stock on Vitas-MAvailable files
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