Vitas-M small molecule compound
4-(5-{(Z)-[1-(3-chloro-4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK078486
SMILES COc1ccc(cc1Cl)N1C(=O)NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)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 C23H15ClN2O7 MW 466.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15ClN2O7/c1-32-19-8-6-14(10-17(19)24)26-21(28)16(20(27)25-23(26)31)11-15-7-9-18(33-15)12-2-4-13(5-3-12)22(29)30/h2-11H,1H3,(H,29,30)(H,25,27,31)/b16-11-InChIKey
KQISZPHLXTZNMY-WJDWOHSUSA-NSynonyms
733801-86-0(Z)4(5((1(3chloro4methoxyphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoicacid
4(5((Z)(1(3CHLORO4METHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
4(5((Z)(1(3CHLORO4METHOXYPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
733801860
COC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)C(=O)NC2=O)Cl
COc1ccc(cc1Cl)N1C(=O)NC(=O)C(=Cc2ccc(o2)c2ccc(cc2)C(=O)O)C1=O
InChI=1SC23H15ClN2O7c132198614(1017(19)24)2621(28)16(20(27)2523(26)31)11157918(3315)122413(5312)22(29)30h211H1H3(H2930)(H252731)b1611
MFCD03683314
STK078486
ZINC000009432077
ZINC9432077
Check stock
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Check stock on Vitas-MAvailable files
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