Vitas-M small molecule compound

4-[(4-{(E)-[1-(2-fluorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid

Catalog ID
STK616215
SMILES COc1cc(ccc1OCc1ccc(cc1)C(=O)O)/C=C/1\C(=NC(=O)N(C1=O)c1ccccc1F)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 C26H19FN2O7 MW 490.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19FN2O7/c1-35-22-13-16(8-11-21(22)36-14-15-6-9-17(10-7-15)25(32)33)12-18-23(30)28-26(34)29(24(18)31)20-5-3-2-4-19(20)27/h2-13H,14H2,1H3,(H,32,33)(H,28,30,34)/b18-12+
InChIKey
JHSJZGQFAWCBIN-LDADJPATSA-N
Synonyms

4((4((E)(1(2FLUOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZOICACID
4((4((E)(1(2fluorophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)2methoxyphenoxy)methyl)benzoicacid
COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3F)OCC4=CC=C(C=C4)C(=O)O
COc1cc(ccc1OCc1ccc(cc1)C(=O)O)C=C1C(=NC(=O)N(C1=O)c1ccccc1F)O
InChI=1SC26H19FN2O7c135221316(81121(22)3614156917(10715)25(32)33)121823(30)2826(34)29(24(18)31)20532419(20)27h213H14H21H3(H3233)(H283034)b1812+
MFCD08737059
ZINC000008769937
ZINC8769937

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Available files

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