Vitas-M small molecule compound
2-chloro-4-{5-[(E)-(1-methyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STK727633
SMILES CN1C(=O)NC(=O)/C(=C\c2ccc(o2)c2ccc(c(c2)Cl)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 C17H11ClN2O6 MW 374.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11ClN2O6/c1-20-15(22)11(14(21)19-17(20)25)7-9-3-5-13(26-9)8-2-4-10(16(23)24)12(18)6-8/h2-7H,1H3,(H,23,24)(H,19,21,25)/b11-7+InChIKey
QOGBKZSONVVVKU-YRNVUSSQSA-NSynonyms
(E)2chloro4(5((1methyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoicacid
2CHLORO4(5((E)(1METHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
2chloro4(5((E)(1methyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoicacid
CN1C(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)C(=O)O)Cl)C(=O)NC1=O
CN1C(=O)NC(=O)C(=Cc2ccc(o2)c2ccc(c(c2)Cl)C(=O)O)C1=O
InChI=1SC17H11ClN2O6c12015(22)11(14(21)1917(20)25)793513(269)82410(16(23)24)12(18)68h27H1H3(H2324)(H192125)b117+
MFCD02575360
ZINC000002302515
ZINC2302515
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