Vitas-M small molecule compound
(4E)-4-{3-bromo-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-ethoxybenzylidene}-1-phenylpyrazolidine-3,5-dione
Catalog ID
STK010535
SMILES CCOc1cc(/C=C/2\C(=O)NN(C2=O)c2ccccc2)cc(c1OCCOc1ccc(cc1)C1CCCCC1)Br
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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 C32H33BrN2O5 MW 605.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33BrN2O5/c1-2-38-29-21-22(19-27-31(36)34-35(32(27)37)25-11-7-4-8-12-25)20-28(33)30(29)40-18-17-39-26-15-13-24(14-16-26)23-9-5-3-6-10-23/h4,7-8,11-16,19-21,23H,2-3,5-6,9-10,17-18H2,1H3,(H,34,36)/b27-19+InChIKey
OVQVLDHBXUVGIB-ZXVVBBHZSA-NSynonyms
(4E)4((3BROMO4(2(4CYCLOHEXYLPHENOXY)ETHOXY)5ETHOXYPHENYL)METHYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
(4E)4(3BROMO4(2(4CYCLOHEXYLPHENOXY)ETHOXY)5ETHOXYBENZYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=CC=C3)Br)OCCOC4=CC=C(C=C4)C5CCCCC5
CCOc1cc(C=C2C(=O)NN(C2=O)c2ccccc2)cc(c1OCCOc1ccc(cc1)C1CCCCC1)Br
InChI=1SC32H33BrN2O5c1238292122(192731(36)3435(32(27)37)25117481225)2028(33)30(29)4018173926151324(141626)2395361023h4781116192123H23569101718H21H3(H3436)b2719+
MFCD02122900
STK010535
ZINC000097957863
ZINC97957863
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