Vitas-M small molecule compound
2-chloro-4-(5-{(E)-[1-(2-methylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK193137
SMILES O=C1NC(=S)N(C(=O)/C/1=C/c1ccc(o1)c1ccc(c(c1)Cl)C(=O)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 C23H15ClN2O5S MW 466.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15ClN2O5S/c1-12-4-2-3-5-18(12)26-21(28)16(20(27)25-23(26)32)11-14-7-9-19(31-14)13-6-8-15(22(29)30)17(24)10-13/h2-11H,1H3,(H,29,30)(H,25,27,32)/b16-11+InChIKey
WDWTWYAKXVDZJP-LFIBNONCSA-NSynonyms
(Z)2chloro4(5((46dioxo2thioxo1(otolyl)tetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoicacid
2CHLORO4(5((E)(1(2METHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
2CHLORO4(5((E)(1(2METHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
CC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)C(=O)NC2=S
InChI=1SC23H15ClN2O5Sc112423518(12)2621(28)16(20(27)2523(26)32)11147919(3114)136815(22(29)30)17(24)1013h211H1H3(H2930)(H252732)b1611+
MFCD02219984
O=C1NC(=S)N(C(=O)C1=Cc1ccc(o1)c1ccc(c(c1)Cl)C(=O)O)c1ccccc1C
ZINC000002240781
ZINC2240781
Check stock
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Check stock on Vitas-MAvailable files
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