Vitas-M small molecule compound
3-[(4E)-4-(3-chloro-5-ethoxy-4-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STK400411
SMILES CCOc1cc(/C=C/2\C(=NN(C2=O)c2cccc(c2)C(=O)O)C)cc(c1OC)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 C21H19ClN2O5 MW 414.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O5/c1-4-29-18-10-13(9-17(22)19(18)28-3)8-16-12(2)23-24(20(16)25)15-7-5-6-14(11-15)21(26)27/h5-11H,4H2,1-3H3,(H,26,27)/b16-8+InChIKey
PZHHPYQUSKLKQF-LZYBPNLTSA-NSynonyms
352693-47-13((4E)4((3CHLORO5ETHOXY4METHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
3((4E)4(3chloro5ethoxy4methoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
352693471
CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)Cl)OC
CCOc1cc(C=C2C(=NN(C2=O)c2cccc(c2)C(=O)O)C)cc(c1OC)Cl
InChI=1SC21H19ClN2O5c1429181013(917(22)19(18)283)81612(2)2324(20(16)25)1575614(1115)21(26)27h511H4H213H3(H2627)b168+
MFCD01647907
ZINC000015930416
ZINC15930416
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