Vitas-M small molecule compound
4-chloro-3-(5-{(E)-[1-(3-chlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK188019
SMILES Clc1cccc(c1)N1C(=S)NC(=O)/C(=C\c2ccc(o2)c2cc(ccc2Cl)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 C22H12Cl2N2O5S MW 487.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H12Cl2N2O5S/c23-12-2-1-3-13(9-12)26-20(28)16(19(27)25-22(26)32)10-14-5-7-18(31-14)15-8-11(21(29)30)4-6-17(15)24/h1-10H,(H,29,30)(H,25,27,32)/b16-10+InChIKey
PCSSGPWHLIHJIK-MHWRWJLKSA-NSynonyms
359411-68-0359411680
4CHLORO3(5((1(3CHLOROPHENYL)46DIOXO2THIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)(2FURYL))BENZOICACID
4CHLORO3(5((E)(1(3CHLOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
4CHLORO3(5((E)(1(3CHLOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
C1=CC(=CC(=C1)Cl)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)C(=O)O)Cl)C(=O)NC2=S
Clc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccc(o2)c2cc(ccc2Cl)C(=O)O)C1=O
InChI=1SC22H12Cl2N2O5Sc231221313(912)2620(28)16(19(27)2522(26)32)10145718(3114)15811(21(29)30)4617(15)24h110H(H2930)(H252732)b1610+
MFCD02611955
ZINC000002782958
ZINC2782958
Check stock
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Check stock on Vitas-MAvailable files
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