Vitas-M small molecule compound
4-({4-[(E)-{1-[4-(methoxycarbonyl)phenyl]-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene}methyl]phenoxy}methyl)benzoic acid
Catalog ID
STL494969
SMILES COC(=O)c1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(cc2)OCc2ccc(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 C27H20N2O8 MW 500.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O8/c1-36-26(34)19-8-10-20(11-9-19)29-24(31)22(23(30)28-27(29)35)14-16-4-12-21(13-5-16)37-15-17-2-6-18(7-3-17)25(32)33/h2-14H,15H2,1H3,(H,32,33)(H,28,30,35)/b22-14+InChIKey
VQCUCNLOALISFU-HYARGMPZSA-NSynonyms
4((4((E)(1(4(methoxycarbonyl)phenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)methyl)benzoicacid
4((4((E)(1(4METHOXYCARBONYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
COC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)C(=O)NC2=O
COC(=O)c1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(cc2)OCc2ccc(cc2)C(=O)O)C1=O
InChI=1SC27H20N2O8c13626(34)1981020(11919)2924(31)22(23(30)2827(29)35)141641221(13516)3715172618(7317)25(32)33h214H15H21H3(H3233)(H283035)b2214+
MFCD03993945
ZINC000016265143
ZINC16265143
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