Vitas-M small molecule compound
ethyl (5E)-5-[3-(benzyloxy)benzylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK771121
SMILES CCOC(=O)C1=C(C)N/C(=C/c2cccc(c2)OCc2ccccc2)/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 C22H21NO4 MW 363.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO4/c1-3-26-22(25)20-15(2)23-19(21(20)24)13-17-10-7-11-18(12-17)27-14-16-8-5-4-6-9-16/h4-13,23H,3,14H2,1-2H3/b19-13+InChIKey
CIKGNNPUPAUFFC-CPNJWEJPSA-NSynonyms
1HPYRROLE3CARBOXYLICACID5(3BENZYLOXYBENZYLIDENE)2METHYL4OXO45DIHYDROETHYLESTER
CCOC(=O)C1=C(C)NC(=Cc2cccc(c2)OCc2ccccc2)C1=O
CCOC(=O)C1=C(NC(=CC2=CC(=CC=C2)OCC3=CC=CC=C3)C1=O)C
ETHYL(5E)2METHYL4OXO5((3PHENYLMETHOXYPHENYL)METHYLIDENE)1HPYRROLE3CARBOXYLATE
ethyl(5E)5(3(benzyloxy)benzylidene)2methyl4oxo45dihydro1Hpyrrole3carboxylate
InChI=1SC22H21NO4c132622(25)2015(2)2319(21(20)24)13171071118(1217)2714168546916h41323H314H212H3b1913+
MFCD03767045
ZINC000004115525
ZINC04115525
ZINC4115525
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