Vitas-M small molecule compound
2-chloro-5-(5-{(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK386252
SMILES CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)c1ccc(c(c1)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 C24H19ClN2O4 MW 434.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClN2O4/c1-13-4-6-17(10-14(13)2)27-23(28)19(15(3)26-27)12-18-7-9-22(31-18)16-5-8-21(25)20(11-16)24(29)30/h4-12H,1-3H3,(H,29,30)/b19-12+InChIKey
RFZOWOCYQVLWLZ-XDHOZWIPSA-NSynonyms
2CHLORO5(5((E)(1(34DIMETHYLPHENYL)3METHYL5OXO15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)FURAN2YL)BENZOICACID
2CHLORO5(5((E)(1(34DIMETHYLPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)FURAN2YL)BENZOICACID
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(=O)O)C(=N2)C)C
CC1=NN(C(=O)C1=Cc1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)c1ccc(c(c1)C)C
InChI=1SC24H19ClN2O4c1134617(1014(13)2)2723(28)19(15(3)2627)12187922(3118)165821(25)20(1116)24(29)30h412H13H3(H2930)b1912+
MFCD01471369
ZINC000016312096
ZINC16312096
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