Vitas-M small molecule compound
4-{(E)-[1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl acetate
Catalog ID
STL431140
SMILES COc1cc(ccc1OC(=O)C)/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 C19H14ClFN2O5 MW 404.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14ClFN2O5/c1-10(24)28-16-6-3-11(8-17(16)27-2)7-13-18(25)22-23(19(13)26)12-4-5-15(21)14(20)9-12/h3-9H,1-2H3,(H,22,25)/b13-7+InChIKey
KPBALWDVDNUOBT-NTUHNPAUSA-NSynonyms
(4((E)(1(3CHLORO4FLUOROPHENYL)35DIOXOPYRAZOLIDIN4YLIDENE)METHYL)2METHOXYPHENYL)ACETATE
4((E)(1(3chloro4fluorophenyl)35dioxopyrazolidin4ylidene)methyl)2methoxyphenylacetate
CC(=O)OC1=C(C=C(C=C1)C=C2C(=O)NN(C2=O)C3=CC(=C(C=C3)F)Cl)OC
COc1cc(ccc1OC(=O)C)C=C1C(=O)NN(C1=O)c1ccc(c(c1)Cl)F
InChI=1SC19H14ClFN2O5c110(24)28166311(817(16)272)71318(25)2223(19(13)26)124515(21)14(20)912h39H12H3(H2225)b137+
MFCD30711020
ZINC000001204226
ZINC1204226
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