Vitas-M small molecule compound
(4E)-4-(5-bromo-2-{2-[4-(butan-2-yl)phenoxy]ethoxy}benzylidene)-1-phenylpyrazolidine-3,5-dione
Catalog ID
STK082121
SMILES CCC(c1ccc(cc1)OCCOc1ccc(cc1/C=C/1\C(=O)NN(C1=O)c1ccccc1)Br)C
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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 C28H27BrN2O4 MW 535.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27BrN2O4/c1-3-19(2)20-9-12-24(13-10-20)34-15-16-35-26-14-11-22(29)17-21(26)18-25-27(32)30-31(28(25)33)23-7-5-4-6-8-23/h4-14,17-19H,3,15-16H2,1-2H3,(H,30,32)/b25-18+InChIKey
JKNMRAPAZIFPGN-XIEYBQDHSA-NSynonyms
(4E)4((5BROMO2(2(4BUTAN2YLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
(4E)4(5BROMO2(2(4(BUTAN2YL)PHENOXY)ETHOXY)BENZYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
CCC(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)Br)C=C3C(=O)NN(C3=O)C4=CC=CC=C4
CCC(c1ccc(cc1)OCCOc1ccc(cc1C=C1C(=O)NN(C1=O)c1ccccc1)Br)C
InChI=1SC28H27BrN2O4c1319(2)2091224(131020)3415163526141122(29)1721(26)182527(32)3031(28(25)33)237546823h4141719H31516H212H3(H3032)b2518+
MFCD03227853
STK082121
ZINC000097959080
ZINC000097959081
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