Vitas-M small molecule compound
(4E)-4-{3-chloro-4-[2-(2,4-dimethylphenoxy)ethoxy]-5-methoxybenzylidene}-1-phenylpyrazolidine-3,5-dione
Catalog ID
STK035865
SMILES COc1cc(/C=C/2\C(=O)NN(C2=O)c2ccccc2)cc(c1OCCOc1ccc(cc1C)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 C27H25ClN2O5 MW 492.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O5/c1-17-9-10-23(18(2)13-17)34-11-12-35-25-22(28)15-19(16-24(25)33-3)14-21-26(31)29-30(27(21)32)20-7-5-4-6-8-20/h4-10,13-16H,11-12H2,1-3H3,(H,29,31)/b21-14+InChIKey
NJAHVDJASGMBIT-KGENOOAVSA-NSynonyms
(4E)4((3CHLORO4(2(24DIMETHYLPHENOXY)ETHOXY)5METHOXYPHENYL)METHYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
(4E)4(3CHLORO4(2(24DIMETHYLPHENOXY)ETHOXY)5METHOXYBENZYLIDENE)1PHENYLPYRAZOLIDINE35DIONE
CC1=CC(=C(C=C1)OCCOC2=C(C=C(C=C2Cl)C=C3C(=O)NN(C3=O)C4=CC=CC=C4)OC)C
COc1cc(C=C2C(=O)NN(C2=O)c2ccccc2)cc(c1OCCOc1ccc(cc1C)C)Cl
InChI=1SC27H25ClN2O5c11791023(18(2)1317)341112352522(28)1519(1624(25)333)142126(31)2930(27(21)32)207546820h4101316H1112H213H3(H2931)b2114+
MFCD03228071
STK035865
ZINC000013942018
ZINC13942018
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