Vitas-M small molecule compound
5-[(4-{(E)-[1-(2-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)methyl]furan-2-carboxylic acid
Catalog ID
STK216414
SMILES COc1cc(ccc1OCc1ccc(o1)C(=O)O)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccccc1CC
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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 C26H22N2O8 MW 490.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O8/c1-3-16-6-4-5-7-19(16)28-24(30)18(23(29)27-26(28)33)12-15-8-10-20(22(13-15)34-2)35-14-17-9-11-21(36-17)25(31)32/h4-13H,3,14H2,1-2H3,(H,31,32)(H,27,29,33)/b18-12+InChIKey
FVPNAQFFNBLAIO-LDADJPATSA-NSynonyms
5((4((E)(1(2ethylphenyl)246trioxo13diazinan5ylidene)methyl)2methoxyphenoxy)methyl)furan2carboxylicacid
5((4((E)(1(2ethylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)2methoxyphenoxy)methyl)furan2carboxylicacid
CCC1=CC=CC=C1N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(O4)C(=O)O)OC)C(=O)NC2=O
COc1cc(ccc1OCc1ccc(o1)C(=O)O)C=C1C(=O)NC(=O)N(C1=O)c1ccccc1CC
InChI=1SC26H22N2O8c1316645719(16)2824(30)18(23(29)2726(28)33)121581020(22(1315)342)35141791121(3617)25(31)32h413H314H212H3(H3132)(H272933)b1812+
MFCD08676744
ZINC000010059457
ZINC10059457
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