Vitas-M small molecule compound
4-chloro-3-(5-{(E)-[1-(3-ethoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK170518
SMILES CCOc1cccc(c1)N1C(=O)NC(=O)/C(=C\c2ccc(o2)c2cc(ccc2Cl)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 C24H17ClN2O7 MW 480.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17ClN2O7/c1-2-33-15-5-3-4-14(11-15)27-22(29)18(21(28)26-24(27)32)12-16-7-9-20(34-16)17-10-13(23(30)31)6-8-19(17)25/h3-12H,2H2,1H3,(H,30,31)(H,26,28,32)/b18-12+InChIKey
BOWUNTUMNPGHIU-LDADJPATSA-NSynonyms
358743-29-0358743290
4CHLORO3(5((1(3ETHOXYPHENYL)246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)(2FURYL))BENZOICACID
4CHLORO3(5((E)(1(3ETHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
4CHLORO3(5((E)(1(3ETHOXYPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)C(=O)O)Cl)C(=O)NC2=O
CCOc1cccc(c1)N1C(=O)NC(=O)C(=Cc2ccc(o2)c2cc(ccc2Cl)C(=O)O)C1=O
InChI=1SC24H17ClN2O7c12331553414(1115)2722(29)18(21(28)2624(27)32)12167920(3416)171013(23(30)31)6819(17)25h312H2H21H3(H3031)(H262832)b1812+
MFCD02611958
ZINC000002789039
ZINC2789039
Check stock
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Check stock on Vitas-MAvailable files
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