Vitas-M small molecule compound
propan-2-yl 2-chloro-5-(5-{(E)-[1-(3,5-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STL439737
SMILES CC(OC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C/1\C(=NN(C1=O)c1cc(Cl)cc(c1)Cl)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 C25H19Cl3N2O4 MW 517.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19Cl3N2O4/c1-13(2)33-25(32)21-8-15(4-6-22(21)28)23-7-5-19(34-23)12-20-14(3)29-30(24(20)31)18-10-16(26)9-17(27)11-18/h4-13H,1-3H3/b20-12+InChIKey
YGLLBVBKMVPCJJ-UDWIEESQSA-NSynonyms
CC(OC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1C(=NN(C1=O)c1cc(Cl)cc(c1)Cl)C)C
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)OC(C)C)C4=CC(=CC(=C4)Cl)Cl
InChI=1SC25H19Cl3N2O4c113(2)3325(32)21815(4622(21)28)237519(3423)122014(3)2930(24(20)31)181016(26)917(27)1118h413H13H3b2012+
MFCD02907053
propan2yl2chloro5(5((E)(1(35dichlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)furan2yl)benzoate
PROPAN2YL2CHLORO5(5((E)(1(35DICHLOROPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)FURAN2YL)BENZOATE
ZINC000101385383
ZINC101385383
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