Vitas-M small molecule compound
(4E)-4-{3-chloro-5-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK067555
SMILES COc1ccc(cc1)OCCOc1c(Cl)cc(cc1OC)/C=C/1\C(=NN(C1=O)c1ccccc1)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 C27H25ClN2O5 MW 492.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O5/c1-18-23(27(31)30(29-18)20-7-5-4-6-8-20)15-19-16-24(28)26(25(17-19)33-3)35-14-13-34-22-11-9-21(32-2)10-12-22/h4-12,15-17H,13-14H2,1-3H3/b23-15+InChIKey
GFHODGFMASUNAD-HZHRSRAPSA-NSynonyms
(4E)4((3CHLORO5METHOXY4(2(4METHOXYPHENOXY)ETHOXY)PHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(3CHLORO5METHOXY4(2(4METHOXYPHENOXY)ETHOXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
4(3CHLORO5METHOXY4(2(4METHOXYPHENOXY)ETHOXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)Cl)OCCOC3=CC=C(C=C3)OC)OC)C4=CC=CC=C4
COc1ccc(cc1)OCCOc1c(Cl)cc(cc1OC)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC27H25ClN2O5c11823(27(31)30(2918)207546820)15191624(28)26(25(1719)333)351413342211921(322)101222h4121517H1314H213H3b2315+
MFCD03227926
STK067555
ZINC000008408024
ZINC08408024
ZINC8408024
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