Vitas-M small molecule compound
2-(4-{(E)-[1-(1,3-benzodioxol-5-yl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}phenoxy)propanoic acid
Catalog ID
STK626875
SMILES OC(=O)C(Oc1ccc(cc1)/C=C/1\C(=NC(=O)N(C1=O)c1ccc2c(c1)OCO2)O)C
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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 C21H16N2O8 MW 424.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O8/c1-11(20(26)27)31-14-5-2-12(3-6-14)8-15-18(24)22-21(28)23(19(15)25)13-4-7-16-17(9-13)30-10-29-16/h2-9,11H,10H2,1H3,(H,26,27)(H,22,24,28)/b15-8+InChIKey
HSNFDVHQWJDGPX-OVCLIPMQSA-NSynonyms
2(4((E)(1(13BENZODIOXOL5YL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)PROPANOICACID
2(4((E)(1(13benzodioxol5yl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)phenoxy)propanoicacid
CC(C(=O)O)OC1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H16N2O8c111(20(26)27)31145212(3614)81518(24)2221(28)23(19(15)25)13471617(913)30102916h2911H10H21H3(H2627)(H222428)b158+
MFCD09794993
OC(=O)C(Oc1ccc(cc1)C=C1C(=NC(=O)N(C1=O)c1ccc2c(c1)OCO2)O)C
ZINC000015821988
ZINC000015821992
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