Vitas-M small molecule compound
(4E)-4-(5-bromo-2-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK064378
SMILES C=CCc1ccc(c(c1)OC)OCCOc1ccc(cc1/C=C/1\C(=NN(C1=O)c1ccccc1)C)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 C29H27BrN2O4 MW 547.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27BrN2O4/c1-4-8-21-11-13-27(28(17-21)34-3)36-16-15-35-26-14-12-23(30)18-22(26)19-25-20(2)31-32(29(25)33)24-9-6-5-7-10-24/h4-7,9-14,17-19H,1,8,15-16H2,2-3H3/b25-19+InChIKey
VGVVLARCKCQSJB-NCELDCMTSA-NSynonyms
(4E)4((5BROMO2(2(2METHOXY4PROP2ENYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(5BROMO2(2(2METHOXY4(PROP2EN1YL)PHENOXY)ETHOXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
C=CCc1ccc(c(c1)OC)OCCOc1ccc(cc1C=C1C(=NN(C1=O)c1ccccc1)C)Br
CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)Br)OCCOC3=C(C=C(C=C3)CC=C)OC)C4=CC=CC=C4
InChI=1SC29H27BrN2O4c14821111327(28(1721)343)3616153526141223(30)1822(26)192520(2)3132(29(25)33)2496571024h479141719H181516H223H3b2519+
MFCD03227923
STK064378
ZINC000100270849
ZINC100270849
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