Vitas-M small molecule compound
(4E)-4-(3-chloro-5-ethoxy-4-{2-[4-(hexyloxy)phenoxy]ethoxy}benzylidene)-1-phenylpyrazolidine-3,5-dione
Catalog ID
STK045163
SMILES CCCCCCOc1ccc(cc1)OCCOc1c(Cl)cc(cc1OCC)/C=C/1\C(=O)NN(C1=O)c1ccccc1
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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 C32H35ClN2O6 MW 579.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35ClN2O6/c1-3-5-6-10-17-39-25-13-15-26(16-14-25)40-18-19-41-30-28(33)21-23(22-29(30)38-4-2)20-27-31(36)34-35(32(27)37)24-11-8-7-9-12-24/h7-9,11-16,20-22H,3-6,10,17-19H2,1-2H3,(H,34,36)/b27-20+InChIKey
DQIFOYDXTVETDS-NHFJDJAPSA-NSynonyms
(4E)4((3CHLORO5ETHOXY4(2(4HEXOXYPHENOXY)ETHOXY)PHENYL)METHYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
(4E)4(3CHLORO5ETHOXY4(2(4(HEXYLOXY)PHENOXY)ETHOXY)BENZYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
CCCCCCOC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2Cl)C=C3C(=O)NN(C3=O)C4=CC=CC=C4)OCC
CCCCCCOc1ccc(cc1)OCCOc1c(Cl)cc(cc1OCC)C=C1C(=O)NN(C1=O)c1ccccc1
InChI=1SC32H35ClN2O6c135610173925131526(161425)401819413028(33)2123(2229(30)3842)202731(36)3435(32(27)37)24118791224h7911162022H36101719H212H3(H3436)b2720+
MFCD02122762
STK045163
ZINC000097958603
ZINC97958603
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