Vitas-M small molecule compound
(4E)-4-{5-bromo-2-[2-(2,6-dimethylphenoxy)ethoxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK016878
SMILES Brc1ccc(c(c1)/C=C/1\C(=NN(C1=O)c1ccccc1)C)OCCOc1c(C)cccc1C
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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/c1-18-8-7-9-19(2)26(18)33-15-14-32-25-13-12-22(28)16-21(25)17-24-20(3)29-30(27(24)31)23-10-5-4-6-11-23/h4-13,16-17H,14-15H2,1-3H3/b24-17+InChIKey
XRCPIDCBULJEIR-JJIBRWJFSA-NSynonyms
(4E)4((5BROMO2(2(26DIMETHYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(5BROMO2(2(26DIMETHYLPHENOXY)ETHOXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
Brc1ccc(c(c1)C=C1C(=NN(C1=O)c1ccccc1)C)OCCOc1c(C)cccc1C
CC1=C(C(=CC=C1)C)OCCOC2=C(C=C(C=C2)Br)C=C3C(=NN(C3=O)C4=CC=CC=C4)C
InChI=1SC27H25BrN2O3c11887919(2)26(18)3315143225131222(28)1621(25)172420(3)2930(27(24)31)23105461123h4131617H1415H213H3b2417+
MFCD05975684
STK016878
ZINC000013940192
ZINC13940192
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