Vitas-M small molecule compound
(4E)-4-{2-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxybenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK077829
SMILES COc1ccc(c(c1)/C=C/1\C(=NN(C1=O)c1ccccc1)C)OCCOc1ccc(c(c1)C)Cl
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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 C27H25ClN2O4 MW 476.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O4/c1-18-15-23(9-11-25(18)28)33-13-14-34-26-12-10-22(32-3)16-20(26)17-24-19(2)29-30(27(24)31)21-7-5-4-6-8-21/h4-12,15-17H,13-14H2,1-3H3/b24-17+InChIKey
UJJYCDYZZQJVAB-JJIBRWJFSA-NSynonyms
(4E)4((2(2(4CHLORO3METHYLPHENOXY)ETHOXY)5METHOXYPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(2(2(4CHLORO3METHYLPHENOXY)ETHOXY)5METHOXYBENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=C(C=CC(=C1)OCCOC2=C(C=C(C=C2)OC)C=C3C(=NN(C3=O)C4=CC=CC=C4)C)Cl
COc1ccc(c(c1)C=C1C(=NN(C1=O)c1ccccc1)C)OCCOc1ccc(c(c1)C)Cl
InChI=1SC27H25ClN2O4c1181523(91125(18)28)3313143426121022(323)1620(26)172419(2)2930(27(24)31)217546821h4121517H1314H213H3b2417+
MFCD05975688
STK077829
ZINC000009659917
ZINC09659917
ZINC9659917
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