Vitas-M small molecule compound
3-(5-{(Z)-[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK728424
SMILES OC(=O)c1cccc(c1)c1ccc(o1)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)Cl)C)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 C23H17ClN2O4 MW 420.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN2O4/c1-13-6-7-17(11-20(13)24)26-22(27)19(14(2)25-26)12-18-8-9-21(30-18)15-4-3-5-16(10-15)23(28)29/h3-12H,1-2H3,(H,28,29)/b19-12-InChIKey
XXYFMFFFHARMHY-UNOMPAQXSA-NSynonyms
(Z)3(5((1(3chloro4methylphenyl)3methyl5oxo1Hpyrazol4(5H)ylidene)methyl)furan2yl)benzoicacid
3(5((Z)(1(3chloro4methylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)furan2yl)benzoicacid
3(5((Z)(1(3CHLORO4METHYLPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)FURAN2YL)BENZOICACID
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C(=N2)C)Cl
InChI=1SC23H17ClN2O4c1136717(1120(13)24)2622(27)19(14(2)2526)12188921(3018)1543516(1015)23(28)29h312H12H3(H2829)b1912
MFCD02614712
OC(=O)c1cccc(c1)c1ccc(o1)C=C1C(=NN(C1=O)c1ccc(c(c1)Cl)C)C
ZINC000013786052
ZINC13786052
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