Vitas-M small molecule compound
4-{[4-{(E)-[1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxy-6-(prop-2-en-1-yl)phenoxy]methyl}benzoic acid
Catalog ID
STK025145
SMILES C=CCc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(cc2)F)cc(c1OCc1ccc(cc1)C(=O)O)OC
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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 C29H23FN2O7 MW 530.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23FN2O7/c1-3-4-20-13-18(15-24(38-2)25(20)39-16-17-5-7-19(8-6-17)28(35)36)14-23-26(33)31-29(37)32(27(23)34)22-11-9-21(30)10-12-22/h3,5-15H,1,4,16H2,2H3,(H,35,36)(H,31,33,37)/b23-14+InChIKey
YCTNOAZLJSJMBU-OEAKJJBVSA-NSynonyms
4((4((E)(1(4FLUOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXY6PROP2ENYLPHENOXY)METHYL)BENZOICACID
4((4((E)(1(4FLUOROPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXY6(PROP2EN1YL)PHENOXY)METHYL)BENZOICACID
C=CCc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)F)cc(c1OCc1ccc(cc1)C(=O)O)OC
COC1=CC(=CC(=C1OCC2=CC=C(C=C2)C(=O)O)CC=C)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F
InChI=1SC29H23FN2O7c134201318(1524(382)25(20)3916175719(8617)28(35)36)142326(33)3129(37)32(27(23)34)2211921(30)101222h3515H1416H22H3(H3536)(H313337)b2314+
MFCD02776708
STK025145
ZINC000097958088
ZINC97958088
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.