Vitas-M small molecule compound
ethyl 4-[(4Z)-4-(2-ethoxybenzylidene)-3,5-dioxopyrazolidin-1-yl]benzoate
Catalog ID
STL431835
SMILES CCOC(=O)c1ccc(cc1)N1NC(=O)/C(=C/c2ccccc2OCC)/C1=O
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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 C21H20N2O5 MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5/c1-3-27-18-8-6-5-7-15(18)13-17-19(24)22-23(20(17)25)16-11-9-14(10-12-16)21(26)28-4-2/h5-13H,3-4H2,1-2H3,(H,22,24)/b17-13-InChIKey
KRWAOLBOCRHGRN-LGMDPLHJSA-NSynonyms
CCOC(=O)c1ccc(cc1)N1NC(=O)C(=Cc2ccccc2OCC)C1=O
CCOC1=CC=CC=C1C=C2C(=O)NN(C2=O)C3=CC=C(C=C3)C(=O)OCC
ethyl4((4Z)4((2ethoxyphenyl)methylidene)35dioxopyrazolidin1yl)benzoate
ethyl4((4Z)4(2ethoxybenzylidene)35dioxopyrazolidin1yl)benzoate
InChI=1SC21H20N2O5c132718865715(18)131719(24)2223(20(17)25)1611914(101216)21(26)2842h513H34H212H3(H2224)b1713
MFCD01032481
ZINC000005175591
ZINC05175591
ZINC5175591
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