Vitas-M small molecule compound
2-chloro-4-(5-{(Z)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK616689
SMILES CCOc1cccc(c1)N1C(=NC(=O)/C(=C/c2ccc(o2)c2ccc(c(c2)Cl)C(=O)O)/C1=O)S
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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 C24H17ClN2O6S MW 496.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17ClN2O6S/c1-2-32-15-5-3-4-14(11-15)27-22(29)18(21(28)26-24(27)34)12-16-7-9-20(33-16)13-6-8-17(23(30)31)19(25)10-13/h3-12H,2H2,1H3,(H,30,31)(H,26,28,34)/b18-12-InChIKey
YNFHIVCKXIRUGY-PDGQHHTCSA-NSynonyms
2CHLORO4(5((1(3ETHOXYPHENYL)46DIOXO2THIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)(2FURYL))BENZOICACID
2chloro4(5((Z)(1(3ethoxyphenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)furan2yl)benzoicacid
2CHLORO4(5((Z)(1(3ETHOXYPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)C(=O)NC2=S
CCOc1cccc(c1)N1C(=NC(=O)C(=Cc2ccc(o2)c2ccc(c(c2)Cl)C(=O)O)C1=O)S
InChI=1SC24H17ClN2O6Sc12321553414(1115)2722(29)18(21(28)2624(27)34)12167920(3316)136817(23(30)31)19(25)1013h312H2H21H3(H3031)(H262834)b1812
MFCD08730175
ZINC000009164780
ZINC9164780
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.