Vitas-M small molecule compound
2-chloro-4-(5-{(E)-[1-(4-chlorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK608097
SMILES Clc1ccc(cc1)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 C22H12Cl2N2O5S MW 487.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H12Cl2N2O5S/c23-12-2-4-13(5-3-12)26-20(28)16(19(27)25-22(26)32)10-14-6-8-18(31-14)11-1-7-15(21(29)30)17(24)9-11/h1-10H,(H,29,30)(H,25,27,32)/b16-10+InChIKey
ABSNMGWRYXZXCF-MHWRWJLKSA-NSynonyms
2chloro4(5((E)(1(4chlorophenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)furan2yl)benzoicacid
2CHLORO4(5((E)(1(4CHLOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
C1=CC(=CC=C1N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)C(=O)O)Cl)C(=O)NC2=S)Cl
Clc1ccc(cc1)N1C(=NC(=O)C(=Cc2ccc(o2)c2ccc(c(c2)Cl)C(=O)O)C1=O)S
InChI=1SC22H12Cl2N2O5Sc23122413(5312)2620(28)16(19(27)2522(26)32)10146818(3114)111715(21(29)30)17(24)911h110H(H2930)(H252732)b1610+
MFCD08736085
ZINC000017112493
ZINC17112493
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