Vitas-M small molecule compound
ethyl 2-chloro-5-{5-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STK389094
SMILES CCOC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C/1\C(=O)NN(C1=O)c1ccccc1
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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 C23H17ClN2O5 MW 436.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN2O5/c1-2-30-23(29)17-12-14(8-10-19(17)24)20-11-9-16(31-20)13-18-21(27)25-26(22(18)28)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,25,27)/b18-13+InChIKey
NLGNIMHYCSWSIB-QGOAFFKASA-NSynonyms
CCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=O)NN(C3=O)C4=CC=CC=C4)Cl
CCOC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1C(=O)NN(C1=O)c1ccccc1
ETHYL2CHLORO5(5((E)(35DIOXO1PHENYLPYRAZOLIDIN4YLIDENE)METHYL)FURAN2YL)BENZOATE
InChI=1SC23H17ClN2O5c123023(29)171214(81019(17)24)2011916(3120)131821(27)2526(22(18)28)156435715h313H2H21H3(H2527)b1813+
MFCD01446185
ZINC000000830577
ZINC00830577
ZINC830577
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