Vitas-M small molecule compound
methyl 2-(5-{(E)-[1-(furan-2-ylmethyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STL037522
SMILES COC(=O)c1ccccc1c1ccc(o1)/C=C/1\C(=NC(=O)N(C1=O)Cc1ccco1)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 C22H16N2O7 MW 420.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N2O7/c1-29-21(27)16-7-3-2-6-15(16)18-9-8-13(31-18)11-17-19(25)23-22(28)24(20(17)26)12-14-5-4-10-30-14/h2-11H,12H2,1H3,(H,23,25,28)/b17-11+InChIKey
UBMKLDADSKTQFE-GZTJUZNOSA-NSynonyms
674308-14-6674308146
COC(=O)C1=CC=CC=C1C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=CO4
COC(=O)c1ccccc1c1ccc(o1)C=C1C(=NC(=O)N(C1=O)Cc1ccco1)O
InChI=1SC22H16N2O7c12921(27)16732615(16)189813(3118)111719(25)2322(28)24(20(17)26)121454103014h211H12H21H3(H232528)b1711+
METHYL2(5((E)(1(FURAN2YLMETHYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOATE
methyl2(5((E)(1(furan2ylmethyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoate
MFCD04081837
ZINC000013512665
ZINC13512665
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