Vitas-M small molecule compound

4-chloro-3-(5-{(E)-[1-(3,5-dimethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid

Catalog ID
STK190237
SMILES Cc1cc(C)cc(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 C24H17ClN2O5S MW 480.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17ClN2O5S/c1-12-7-13(2)9-15(8-12)27-22(29)18(21(28)26-24(27)33)11-16-4-6-20(32-16)17-10-14(23(30)31)3-5-19(17)25/h3-11H,1-2H3,(H,30,31)(H,26,28,33)/b18-11+
InChIKey
SLDMNGLRCMKBSY-WOJGMQOQSA-N
Synonyms

4CHLORO3(5((E)(1(35DIMETHYLPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
4CHLORO3(5((E)(1(35DIMETHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)C(=O)O)Cl)C(=O)NC2=S)C
Cc1cc(C)cc(c1)N1C(=S)NC(=O)C(=Cc2ccc(o2)c2cc(ccc2Cl)C(=O)O)C1=O
InChI=1SC24H17ClN2O5Sc112713(2)915(812)2722(29)18(21(28)2624(27)33)11164620(3216)171014(23(30)31)3519(17)25h311H12H3(H3031)(H262833)b1811+
MFCD03715346
ZINC000002817188
ZINC2817188

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Available files

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