Vitas-M small molecule compound
3-[(4-{(E)-[1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK170808
SMILES Fc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(cc2)OCc2cccc(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 C25H17FN2O6 MW 460.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17FN2O6/c26-18-6-8-19(9-7-18)28-23(30)21(22(29)27-25(28)33)13-15-4-10-20(11-5-15)34-14-16-2-1-3-17(12-16)24(31)32/h1-13H,14H2,(H,31,32)(H,27,29,33)/b21-13+InChIKey
QSKHLBWKRBWAMM-FYJGNVAPSA-NSynonyms
3((4((E)(1(4FLUOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
3((4((E)(1(4FLUOROPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
C1=CC(=CC(=C1)COC2=CC=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F)C(=O)O
Fc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(cc2)OCc2cccc(c2)C(=O)O)C1=O
InChI=1SC25H17FN2O6c26186819(9718)2823(30)21(22(29)2725(28)33)131541020(11515)34141621317(1216)24(31)32h113H14H2(H3132)(H272933)b2113+
MFCD03244254
ZINC000002995408
ZINC2995408
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