Vitas-M small molecule compound
methyl 2-chloro-5-(5-{(E)-[1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STL432733
SMILES COC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C/1\C(=O)NN(C1=O)c1ccc(c(c1)Cl)C
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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 C23H16Cl2N2O5 MW 471.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16Cl2N2O5/c1-12-3-5-14(10-19(12)25)27-22(29)17(21(28)26-27)11-15-6-8-20(32-15)13-4-7-18(24)16(9-13)23(30)31-2/h3-11H,1-2H3,(H,26,28)/b17-11+InChIKey
YSKDISQJNFZHST-GZTJUZNOSA-NSynonyms
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)OC)C(=O)N2)Cl
COC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1C(=O)NN(C1=O)c1ccc(c(c1)Cl)C
InChI=1SC23H16Cl2N2O5c1123514(1019(12)25)2722(29)17(21(28)2627)11156820(3215)134718(24)16(913)23(30)312h311H12H3(H2628)b1711+
methyl2chloro5(5((E)(1(3chloro4methylphenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoate
MFCD30711096
ZINC000207341929
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