Vitas-M small molecule compound
(4E)-4-{4-[2-(2,4-dimethylphenoxy)ethoxy]-3-ethoxybenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK055880
SMILES CCOc1cc(ccc1OCCOc1ccc(cc1C)C)/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 C29H30N2O4 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O4/c1-5-33-28-19-23(18-25-22(4)30-31(29(25)32)24-9-7-6-8-10-24)12-14-27(28)35-16-15-34-26-13-11-20(2)17-21(26)3/h6-14,17-19H,5,15-16H2,1-4H3/b25-18+InChIKey
SJBPZEMNHVPQSE-XIEYBQDHSA-NSynonyms
(4E)4((4(2(24DIMETHYLPHENOXY)ETHOXY)3ETHOXYPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(4(2(24DIMETHYLPHENOXY)ETHOXY)3ETHOXYBENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OCCOC4=C(C=C(C=C4)C)C
CCOc1cc(ccc1OCCOc1ccc(cc1C)C)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC29H30N2O4c1533281923(182522(4)3031(29(25)32)2497681024)121427(28)3516153426131120(2)1721(26)3h6141719H51516H214H3b2518+
MFCD05975670
STK055880
ZINC000009510927
ZINC09510927
ZINC9510927
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