Vitas-M small molecule compound
(4E)-4-{5-bromo-2-[2-(3,5-dimethylphenoxy)ethoxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK040849
SMILES Brc1ccc(c(c1)/C=C/1\C(=NN(C1=O)c1ccccc1)C)OCCOc1cc(C)cc(c1)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 C27H25BrN2O3 MW 505.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25BrN2O3/c1-18-13-19(2)15-24(14-18)32-11-12-33-26-10-9-22(28)16-21(26)17-25-20(3)29-30(27(25)31)23-7-5-4-6-8-23/h4-10,13-17H,11-12H2,1-3H3/b25-17+InChIKey
KNSGPGFCEWRCFG-KOEQRZSOSA-NSynonyms
(4E)4((5BROMO2(2(35DIMETHYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(5BROMO2(2(35DIMETHYLPHENOXY)ETHOXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
Brc1ccc(c(c1)C=C1C(=NN(C1=O)c1ccccc1)C)OCCOc1cc(C)cc(c1)C
CC1=CC(=CC(=C1)OCCOC2=C(C=C(C=C2)Br)C=C3C(=NN(C3=O)C4=CC=CC=C4)C)C
InChI=1SC27H25BrN2O3c1181319(2)1524(1418)321112332610922(28)1621(26)172520(3)2930(27(25)31)237546823h4101317H1112H213H3b2517+
MFCD05975682
STK040849
ZINC000009425504
ZINC09425504
ZINC9425504
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