Vitas-M small molecule compound
(4E)-4-{4-[(4-chlorobenzyl)oxy]-3-methoxy-5-(prop-2-en-1-yl)benzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK160397
SMILES C=CCc1cc(/C=C/2\C(=NN(C2=O)c2ccccc2)C)cc(c1OCc1ccc(cc1)Cl)OC
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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 C28H25ClN2O3 MW 472.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN2O3/c1-4-8-22-15-21(16-25-19(2)30-31(28(25)32)24-9-6-5-7-10-24)17-26(33-3)27(22)34-18-20-11-13-23(29)14-12-20/h4-7,9-17H,1,8,18H2,2-3H3/b25-16+InChIKey
BQVVQZFMAPVNQR-PCLIKHOPSA-NSynonyms
(4E)4((4((4CHLOROPHENYL)METHOXY)3METHOXY5PROP2ENYLPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(4((4CHLOROBENZYL)OXY)3METHOXY5(PROP2EN1YL)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
C=CCc1cc(C=C2C(=NN(C2=O)c2ccccc2)C)cc(c1OCc1ccc(cc1)Cl)OC
CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)OC)OCC3=CC=C(C=C3)Cl)CC=C)C4=CC=CC=C4
InChI=1SC28H25ClN2O3c148221521(162519(2)3031(28(25)32)2496571024)1726(333)27(22)341820111323(29)141220h47917H1818H223H3b2516+
MFCD04571239
ZINC000100233045
ZINC100233045
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