Vitas-M small molecule compound
ethyl 4-{[(2-bromo-4-{(Z)-[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-ethoxyphenoxy)acetyl]amino}benzoate
Catalog ID
STL171861
SMILES CCOC(=O)c1ccc(cc1)NC(=O)COc1c(Br)cc(cc1OCC)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)Cl)Cl)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 C30H26BrCl2N3O6 MW 675.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26BrCl2N3O6/c1-4-40-26-14-18(12-22-17(3)35-36(29(22)38)21-10-11-24(32)25(33)15-21)13-23(31)28(26)42-16-27(37)34-20-8-6-19(7-9-20)30(39)41-5-2/h6-15H,4-5,16H2,1-3H3,(H,34,37)/b22-12-InChIKey
HXXMLBCZMTYIRE-UUYOSTAYSA-NSynonyms
355002-52-7355002527
CCOC(=O)c1ccc(cc1)NC(=O)COc1c(Br)cc(cc1OCC)C=C1C(=NN(C1=O)c1ccc(c(c1)Cl)Cl)C
CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC(=C(C=C3)Cl)Cl)C)Br)OCC(=O)NC4=CC=C(C=C4)C(=O)OCC
ethyl4(((2bromo4((Z)(1(34dichlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)6ethoxyphenoxy)acetyl)amino)benzoate
ethyl4((2(2bromo4((Z)(1(34dichlorophenyl)3methyl5oxopyrazol4ylidene)methyl)6ethoxyphenoxy)acetyl)amino)benzoate
InChI=1SC30H26BrCl2N3O6c1440261418(122217(3)3536(29(22)38)21101124(32)25(33)1521)1323(31)28(26)421627(37)34208619(7920)30(39)4152h615H4516H213H3(H3437)b2212
MFCD01835450
ZINC000150391876
ZINC150391876
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.