Vitas-M small molecule compound
4-chloro-3-(5-{(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK187363
SMILES Fc1ccc(cc1)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 C22H12ClFN2O5S MW 470.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H12ClFN2O5S/c23-17-7-1-11(21(29)30)9-15(17)18-8-6-14(31-18)10-16-19(27)25-22(32)26(20(16)28)13-4-2-12(24)3-5-13/h1-10H,(H,29,30)(H,25,27,32)/b16-10-InChIKey
SVNQTRAVBZYHNQ-YBEGLDIGSA-NSynonyms
4CHLORO3(5((Z)(1(4FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
4CHLORO3(5((Z)(1(4FLUOROPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
C1=CC(=CC=C1N2C(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)C(=O)O)Cl)C(=O)NC2=S)F
Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(o2)c2cc(ccc2Cl)C(=O)O)C1=O
InChI=1SC22H12ClFN2O5Sc23177111(21(29)30)915(17)188614(3118)101619(27)2522(32)26(20(16)28)134212(24)3513h110H(H2930)(H252732)b1610
MFCD03144247
ZINC000015012800
ZINC15012800
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