Vitas-M small molecule compound
2-(5-{(E)-[1-(3-chloro-4-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STL431967
SMILES CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1ccccc1C(=O)O)c1ccc(c(c1)Cl)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/c1-13-7-8-15(11-20(13)24)26-22(27)19(14(2)25-26)12-16-9-10-21(30-16)17-5-3-4-6-18(17)23(28)29/h3-12H,1-2H3,(H,28,29)/b19-12+InChIKey
YQHPCXQTAIARIZ-XDHOZWIPSA-NSynonyms
2(5((E)(1(3chloro4methylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)furan2yl)benzoicacid
2(5((E)(1(3CHLORO4METHYLPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)FURAN2YL)BENZOICACID
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4C(=O)O)C(=N2)C)Cl
CC1=NN(C(=O)C1=Cc1ccc(o1)c1ccccc1C(=O)O)c1ccc(c(c1)Cl)C
InChI=1SC23H17ClN2O4c1137815(1120(13)24)2622(27)19(14(2)2526)121691021(3016)17534618(17)23(28)29h312H12H3(H2829)b1912+
MFCD02614681
ZINC000032099527
ZINC32099527
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