Vitas-M small molecule compound
3-({(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
Catalog ID
STL295263
SMILES Clc1ccc(cc1)N1N=C(/C(=C\Nc2cccc(c2)C(=O)O)/C1=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 C18H14ClN3O3 MW 355.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClN3O3/c1-11-16(10-20-14-4-2-3-12(9-14)18(24)25)17(23)22(21-11)15-7-5-13(19)6-8-15/h2-10,20H,1H3,(H,24,25)/b16-10+InChIKey
UYCQRORWCCFAQN-MHWRWJLKSA-NSynonyms
3(((1(4CHLOROPHENYL)3METHYL5OXO12DIAZOLIN4YLIDENE)METHYL)AMINO)BENZOICACID
3(((E)(1(4chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)benzoicacid
3(((E)(1(4CHLOROPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)AMINO)BENZOICACID
CC1=NN(C(=O)C1=CNC2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)Cl
Clc1ccc(cc1)N1N=C(C(=CNc2cccc(c2)C(=O)O)C1=O)C
InChI=1SC18H14ClN3O3c11116(10201442312(914)18(24)25)17(23)22(2111)157513(19)6815h21020H1H3(H2425)b1610+
MFCD01019757
ZINC000100535641
ZINC100535641
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