Vitas-M small molecule compound
methyl 4-(5-{(E)-[1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STK862935
SMILES COC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)NN(C1=O)c1ccc(c(c1)Cl)F
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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 C22H14ClFN2O5 MW 440.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14ClFN2O5/c1-30-22(29)13-4-2-12(3-5-13)19-9-7-15(31-19)11-16-20(27)25-26(21(16)28)14-6-8-18(24)17(23)10-14/h2-11H,1H3,(H,25,27)/b16-11+InChIKey
ODMVCNLAZNJRCF-LFIBNONCSA-NSynonyms
353503-56-7(E)methyl4(5((1(3chloro4fluorophenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoate
353503567
COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)NN(C3=O)C4=CC(=C(C=C4)F)Cl
COC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)NN(C1=O)c1ccc(c(c1)Cl)F
InChI=1SC22H14ClFN2O5c13022(29)134212(3513)199715(3119)111620(27)2526(21(16)28)146818(24)17(23)1014h211H1H3(H2527)b1611+
methyl4(5((E)(1(3chloro4fluorophenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoate
MFCD02932366
ZINC000002309350
ZINC02309350
ZINC2309350
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