Vitas-M small molecule compound
(4E)-4-(3-ethoxy-5-iodo-4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK918896
SMILES CCOc1cc(/C=C/2\C(=NN(C2=O)c2ccccc2)C)cc(c1OC)I
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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 C20H19IN2O3 MW 462.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19IN2O3/c1-4-26-18-12-14(11-17(21)19(18)25-3)10-16-13(2)22-23(20(16)24)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3/b16-10+InChIKey
DPXMJQMFEPBHRO-MHWRWJLKSA-NSynonyms
(4E)4((3ethoxy5iodo4methoxyphenyl)methylidene)5methyl2phenylpyrazol3one
(4E)4(3ethoxy5iodo4methoxybenzylidene)5methyl2phenyl24dihydro3Hpyrazol3one
CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)I)OC
CCOc1cc(C=C2C(=NN(C2=O)c2ccccc2)C)cc(c1OC)I
InChI=1SC20H19IN2O3c1426181214(1117(21)19(18)253)101613(2)2223(20(16)24)158657915h512H4H213H3b1610+
MFCD01647574
ZINC000027062594
ZINC27062594
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