Vitas-M small molecule compound
5-[(4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxyphenoxy)methyl]furan-2-carboxylic acid
Catalog ID
STK213588
SMILES CCOc1cc(ccc1OCc1ccc(o1)C(=O)O)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
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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 C26H20N2O10 MW 520.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O10/c1-2-34-21-10-14(3-6-18(21)35-12-16-5-8-20(38-16)25(31)32)9-17-23(29)27-26(33)28(24(17)30)15-4-7-19-22(11-15)37-13-36-19/h3-11H,2,12-13H2,1H3,(H,31,32)(H,27,29,33)/b17-9+InChIKey
QGSGIIMCHPVVML-RQZCQDPDSA-NSynonyms
5((4((E)(1(13BENZODIOXOL5YL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2ETHOXYPHENOXY)METHYL)FURAN2CARBOXYLICACID
5((4((E)(1(13BENZODIOXOL5YL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2ETHOXYPHENOXY)METHYL)FURAN2CARBOXYLICACID
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)OCC5=CC=C(O5)C(=O)O
CCOc1cc(ccc1OCc1ccc(o1)C(=O)O)C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
InChI=1SC26H20N2O10c1234211014(3618(21)3512165820(3816)25(31)32)91723(29)2726(33)28(24(17)30)15471922(1115)37133619h311H21213H21H3(H3132)(H272933)b179+
MFCD05822752
ZINC000097961741
ZINC97961741
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Check stock on Vitas-MAvailable files
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