Vitas-M small molecule compound
3-[(4-{(E)-[1-(2-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK170935
SMILES OC(=O)c1cccc(c1)COc1ccc(cc1)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccccc1C
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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 C26H20N2O6 MW 456.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O6/c1-16-5-2-3-8-22(16)28-24(30)21(23(29)27-26(28)33)14-17-9-11-20(12-10-17)34-15-18-6-4-7-19(13-18)25(31)32/h2-14H,15H2,1H3,(H,31,32)(H,27,29,33)/b21-14+InChIKey
RYCBWKLFBLPJPU-KGENOOAVSA-NSynonyms
3((4((E)(1(2METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
3((4((E)(1(2METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=CC(=C4)C(=O)O)C(=O)NC2=O
InChI=1SC26H20N2O6c116523822(16)2824(30)21(23(29)2726(28)33)141791120(121017)34151864719(1318)25(31)32h214H15H21H3(H3132)(H272933)b2114+
MFCD02218784
OC(=O)c1cccc(c1)COc1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1ccccc1C
ZINC000002960837
ZINC2960837
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