Vitas-M small molecule compound
3-[(4E)-4-(3-chloro-4,5-dimethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STK957402
SMILES COc1c(Cl)cc(cc1OC)/C=C/1\C(=NN(C1=O)c1cccc(c1)C(=O)O)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 C20H17ClN2O5 MW 400.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O5/c1-11-15(7-12-8-16(21)18(28-3)17(9-12)27-2)19(24)23(22-11)14-6-4-5-13(10-14)20(25)26/h4-10H,1-3H3,(H,25,26)/b15-7+InChIKey
XUHNFWAUECSSFY-VIZOYTHASA-NSynonyms
3((4E)4((3CHLORO45DIMETHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
3((4E)4(3chloro45dimethoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)Cl)OC)OC)C3=CC=CC(=C3)C(=O)O
COc1c(Cl)cc(cc1OC)C=C1C(=NN(C1=O)c1cccc(c1)C(=O)O)C
InChI=1SC20H17ClN2O5c11115(712816(21)18(283)17(912)272)19(24)23(2211)1464513(1014)20(25)26h410H13H3(H2526)b157+
MFCD01466088
ZINC000004611945
ZINC4611945
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