Vitas-M small molecule compound
ethyl 4-(5-{(Z)-[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STL431881
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/C(=O)NN(C1=O)c1ccc(c(c1)C)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 C25H22N2O5 MW 430.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O5/c1-4-31-25(30)18-8-6-17(7-9-18)22-12-11-20(32-22)14-21-23(28)26-27(24(21)29)19-10-5-15(2)16(3)13-19/h5-14H,4H2,1-3H3,(H,26,28)/b21-14-InChIKey
VYBUDHXLMRRNHR-STZFKDTASA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)NN(C3=O)C4=CC(=C(C=C4)C)C
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)NN(C1=O)c1ccc(c(c1)C)C
ethyl4(5((Z)(1(34dimethylphenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoate
InChI=1SC25H22N2O5c143125(30)188617(7918)22121120(3222)142123(28)2627(24(21)29)1910515(2)16(3)1319h514H4H213H3(H2628)b2114
MFCD01363657
ZINC000000678062
ZINC00678062
ZINC678062
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