Vitas-M small molecule compound
methyl 2-chloro-5-(5-{(Z)-[1-(4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STL431836
SMILES COC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C\1/C(=O)NN(C1=O)c1ccc(cc1)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)16-10-12(2-8-18(16)23)19-9-7-15(31-19)11-17-20(27)25-26(21(17)28)14-5-3-13(24)4-6-14/h2-11H,1H3,(H,25,27)/b17-11-InChIKey
QYOQVLIRLQGMAP-BOPFTXTBSA-NSynonyms
COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=O)NN(C3=O)C4=CC=C(C=C4)F)Cl
COC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1C(=O)NN(C1=O)c1ccc(cc1)F
InChI=1SC22H14ClFN2O5c13022(29)161012(2818(16)23)199715(3119)111720(27)2526(21(17)28)145313(24)4614h211H1H3(H2527)b1711
methyl2chloro5(5((Z)(1(4fluorophenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoate
MFCD01158431
ZINC000016194061
ZINC16194061
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