Vitas-M small molecule compound
3-[(4Z)-4-{[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STK394088
SMILES CC1=NN(C(=O)/C/1=C\c1ccc(o1)c1cccc(c1C)Cl)c1cccc(c1)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 C23H17ClN2O4 MW 420.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN2O4/c1-13-18(7-4-8-20(13)24)21-10-9-17(30-21)12-19-14(2)25-26(22(19)27)16-6-3-5-15(11-16)23(28)29/h3-12H,1-2H3,(H,28,29)/b19-12-InChIKey
UAHKSRRXJNYYCS-UNOMPAQXSA-NSynonyms
3((4Z)4((5(3chloro2methylphenyl)furan2yl)methylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
3((4Z)4((5(3chloro2methylphenyl)furan2yl)methylidene)3methyl5oxopyrazol1yl)benzoicacid
CC1=C(C=CC=C1Cl)C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=CC(=C4)C(=O)O)C
CC1=NN(C(=O)C1=Cc1ccc(o1)c1cccc(c1C)Cl)c1cccc(c1)C(=O)O
InChI=1SC23H17ClN2O4c11318(74820(13)24)2110917(3021)121914(2)2526(22(19)27)1663515(1116)23(28)29h312H12H3(H2829)b1912
MFCD02632493
ZINC000016250046
ZINC16250046
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