Vitas-M small molecule compound
3-(5-{(E)-[1-(4-ethoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK175055
SMILES CCOc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(o2)c2cccc(c2)C(=O)O)/C1=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 C24H18N2O7 MW 446.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N2O7/c1-2-32-17-8-6-16(7-9-17)26-22(28)19(21(27)25-24(26)31)13-18-10-11-20(33-18)14-4-3-5-15(12-14)23(29)30/h3-13H,2H2,1H3,(H,29,30)(H,25,27,31)/b19-13+InChIKey
UZJMLXHRSOGLHI-CPNJWEJPSA-NSynonyms
358289-36-83(5((E)(1(4ETHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
3(5((E)(1(4ETHOXYPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
358289368
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C(=O)NC2=O
CCOc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(o2)c2cccc(c2)C(=O)O)C1=O
InChI=1SC24H18N2O7c1232178616(7917)2622(28)19(21(27)2524(26)31)1318101120(3318)1443515(1214)23(29)30h313H2H21H3(H2930)(H252731)b1913+
MFCD02611959
ZINC000002777086
ZINC2777086
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