Vitas-M small molecule compound
4-(5-{(E)-[1-(3,5-dichlorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STL368139
SMILES Clc1cc(Cl)cc(c1)N1C(=S)NC(=O)/C(=C\c2ccc(o2)c2ccc(cc2)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/c23-13-7-14(24)9-15(8-13)26-20(28)17(19(27)25-22(26)32)10-16-5-6-18(31-16)11-1-3-12(4-2-11)21(29)30/h1-10H,(H,29,30)(H,25,27,32)/b17-10+InChIKey
SFVXBJYQEALDEJ-LICLKQGHSA-NSynonyms
4(5((E)(1(35dichlorophenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)furan2yl)benzoicacid
4(5((E)(1(35dichlorophenyl)46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoicacid
C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC(=C4)Cl)Cl)C(=O)O
Clc1cc(Cl)cc(c1)N1C(=S)NC(=O)C(=Cc2ccc(o2)c2ccc(cc2)C(=O)O)C1=O
InChI=1SC22H12Cl2N2O5Sc2313714(24)915(813)2620(28)17(19(27)2522(26)32)10165618(3116)111312(4211)21(29)30h110H(H2930)(H252732)b1710+
MFCD02290323
ZINC000096234382
ZINC96234382
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