Vitas-M small molecule compound
2-(4-{(E)-[1-(2-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)propanoic acid
Catalog ID
STK175046
SMILES CC(C(=O)O)Oc1ccc(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 C21H18N2O6 MW 394.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6/c1-12-5-3-4-6-17(12)23-19(25)16(18(24)22-21(23)28)11-14-7-9-15(10-8-14)29-13(2)20(26)27/h3-11,13H,1-2H3,(H,26,27)(H,22,24,28)/b16-11+InChIKey
FNEDIXIYGNRHRF-LFIBNONCSA-NSynonyms
428473-04-52(4((E)(1(2METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)PROPANOICACID
2(4((E)(1(2METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)PROPANOICACID
428473045
CC(C(=O)O)Oc1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1ccccc1C
CC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(C=C3)OC(C)C(=O)O)C(=O)NC2=O
InChI=1SC21H18N2O6c112534617(12)2319(25)16(18(24)2221(23)28)11147915(10814)2913(2)20(26)27h31113H12H3(H2627)(H222428)b1611+
MFCD02605334
ZINC000002805852
ZINC000002805854
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