Vitas-M small molecule compound
4-[(4E)-4-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STL431106
SMILES CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1ccc(c(c1)Cl)Cl)c1ccc(cc1)C(=O)O
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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 C22H14Cl2N2O4 MW 441.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14Cl2N2O4/c1-12-17(21(27)26(25-12)15-5-2-13(3-6-15)22(28)29)11-16-7-9-20(30-16)14-4-8-18(23)19(24)10-14/h2-11H,1H3,(H,28,29)/b17-11+InChIKey
NMIUSRFVQQDAHM-GZTJUZNOSA-NSynonyms
4((4E)4((5(34dichlorophenyl)furan2yl)methylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
4((4E)4((5(34DICHLOROPHENYL)FURAN2YL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
CC1=NN(C(=O)C1=Cc1ccc(o1)c1ccc(c(c1)Cl)Cl)c1ccc(cc1)C(=O)O
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=C(C=C4)C(=O)O
InChI=1SC22H14Cl2N2O4c11217(21(27)26(2512)155213(3615)22(28)29)11167920(3016)144818(23)19(24)1014h211H1H3(H2829)b1711+
MFCD04225417
ZINC000100147494
ZINC100147494
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