Vitas-M small molecule compound
3-[(4Z)-4-(5-chloro-2-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STL431880
SMILES COc1ccc(cc1/C=C\1/C(=NN(C1=O)c1cccc(c1)C(=O)O)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 C19H15ClN2O4 MW 370.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClN2O4/c1-11-16(10-13-8-14(20)6-7-17(13)26-2)18(23)22(21-11)15-5-3-4-12(9-15)19(24)25/h3-10H,1-2H3,(H,24,25)/b16-10-InChIKey
BKTLVJWAZRMPEC-YBEGLDIGSA-NSynonyms
3((4Z)4((5CHLORO2METHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
3((4Z)4(5chloro2methoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)Cl)OC)C3=CC=CC(=C3)C(=O)O
COc1ccc(cc1C=C1C(=NN(C1=O)c1cccc(c1)C(=O)O)C)Cl
InChI=1SC19H15ClN2O4c11116(1013814(20)6717(13)262)18(23)22(2111)1553412(915)19(24)25h310H12H3(H2425)b1610
MFCD01363771
ZINC000004853186
ZINC4853186
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