Vitas-M small molecule compound
3-(5-{(Z)-[1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STL431931
SMILES OC(=O)c1cccc(c1)c1ccc(o1)/C=C\1/C(=O)NN(C1=O)c1ccc(c(c1)Cl)F
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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 C21H12ClFN2O5 MW 426.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12ClFN2O5/c22-16-9-13(4-6-17(16)23)25-20(27)15(19(26)24-25)10-14-5-7-18(30-14)11-2-1-3-12(8-11)21(28)29/h1-10H,(H,24,26)(H,28,29)/b15-10-InChIKey
LBVSJAICDNLLEY-GDNBJRDFSA-NSynonyms
5994-93-43(5((1(3CHLORO4FLUOROPHENYL)35DIOXO12DIAZOLIDIN4YLIDENE)METHYL)2FURYL)BENZOICACID
3(5((Z)(1(3chloro4fluorophenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoicacid
5994934
C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)NN(C3=O)C4=CC(=C(C=C4)F)Cl
InChI=1SC21H12ClFN2O5c2216913(4617(16)23)2520(27)15(19(26)2425)10145718(3014)1121312(811)21(28)29h110H(H2426)(H2829)b1510
MFCD01785237
OC(=O)c1cccc(c1)c1ccc(o1)C=C1C(=O)NN(C1=O)c1ccc(c(c1)Cl)F
ZINC000012428658
ZINC12428658
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