Vitas-M small molecule compound
3-[(2-{(E)-[1-(4-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK175198
SMILES Cc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2cccc(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 C26H20N2O6 MW 456.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O6/c1-16-9-11-20(12-10-16)28-24(30)21(23(29)27-26(28)33)14-18-6-2-3-8-22(18)34-15-17-5-4-7-19(13-17)25(31)32/h2-14H,15H2,1H3,(H,31,32)(H,27,29,33)/b21-14+InChIKey
WXBPINHDNXKEBH-KGENOOAVSA-NSynonyms
3((2((E)(1(4METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
3((2((E)(1(4METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3OCC4=CC=CC(=C4)C(=O)O)C(=O)NC2=O
Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccccc2OCc2cccc(c2)C(=O)O)C1=O
InChI=1SC26H20N2O6c11691120(121016)2824(30)21(23(29)2726(28)33)1418623822(18)34151754719(1317)25(31)32h214H15H21H3(H3132)(H272933)b2114+
MFCD03719838
ZINC000002826478
ZINC2826478
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