Vitas-M small molecule compound
3-({(Z)-[1-(3-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoic acid
Catalog ID
STL359368
SMILES Clc1cccc(c1)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(10-20-14-6-2-4-12(8-14)18(24)25)17(23)22(21-11)15-7-3-5-13(19)9-15/h2-10,20H,1H3,(H,24,25)/b16-10-InChIKey
DDLISHIUGJYMHR-YBEGLDIGSA-NSynonyms
3(((1(3CHLOROPHENYL)3METHYL5OXO12DIAZOLIN4YLIDENE)METHYL)AMINO)BENZOICACID
3(((Z)(1(3chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)benzoicacid
3(((Z)(1(3CHLOROPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)AMINO)BENZOICACID
CC1=NN(C(=O)C1=CNC2=CC=CC(=C2)C(=O)O)C3=CC(=CC=C3)Cl
Clc1cccc(c1)N1N=C(C(=CNc2cccc(c2)C(=O)O)C1=O)C
InChI=1SC18H14ClN3O3c11116(10201462412(814)18(24)25)17(23)22(2111)1573513(19)915h21020H1H3(H2425)b1610
MFCD00819199
ZINC000016160822
ZINC16160822
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