Vitas-M small molecule compound
ethyl 3-{(2E)-2-[1-(2-hydroxyethyl)-3-(4-methoxyphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoate
Catalog ID
STK329587
SMILES OCCN1N=C(/C(=N\Nc2cccc(c2)C(=O)OCC)/C1=O)c1ccc(cc1)OC
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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 C21H22N4O5 MW 410.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O5/c1-3-30-21(28)15-5-4-6-16(13-15)22-23-19-18(24-25(11-12-26)20(19)27)14-7-9-17(29-2)10-8-14/h4-10,13,22,26H,3,11-12H2,1-2H3/b23-19+InChIKey
KAQLVULHSKDGSY-FCDQGJHFSA-NSynonyms
CCOC(=O)C1=CC(=CC=C1)NN=C2C(=NN(C2=O)CCO)C3=CC=C(C=C3)OC
ethyl3((2E)2(1(2hydroxyethyl)3(4methoxyphenyl)5oxo15dihydro4Hpyrazol4ylidene)hydrazinyl)benzoate
ethyl3((2E)2(1(2hydroxyethyl)3(4methoxyphenyl)5oxopyrazol4ylidene)hydrazinyl)benzoate
InChI=1SC21H22N4O5c133021(28)1554616(1315)22231918(2425(111226)20(19)27)147917(292)10814h410132226H31112H212H3b2319+
MFCD09961945
OCCN1N=C(C(=NNc2cccc(c2)C(=O)OCC)C1=O)c1ccc(cc1)OC
ZINC000012346178
ZINC102033652
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