Vitas-M small molecule compound
4-(5-{(E)-[1-(2,4-dimethoxyphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK118565
SMILES COc1ccc(c(c1)OC)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 C24H18N2O7S MW 478.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N2O7S/c1-31-15-7-9-18(20(12-15)32-2)26-22(28)17(21(27)25-24(26)34)11-16-8-10-19(33-16)13-3-5-14(6-4-13)23(29)30/h3-12H,1-2H3,(H,29,30)(H,25,27,34)/b17-11+InChIKey
CUSIHKWWTQBQNK-GZTJUZNOSA-NSynonyms
4(5((E)(1(24DIMETHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
4(5((E)(1(24DIMETHOXYPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
COC1=CC(=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)C(=O)NC2=S)OC
COc1ccc(c(c1)OC)N1C(=S)NC(=O)C(=Cc2ccc(o2)c2ccc(cc2)C(=O)O)C1=O
InChI=1SC24H18N2O7Sc131157918(20(1215)322)2622(28)17(21(27)2524(26)34)111681019(3316)133514(6413)23(29)30h312H12H3(H2930)(H252734)b1711+
MFCD04128533
ZINC000009805547
ZINC9805547
Check stock
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Check stock on Vitas-MAvailable files
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