Vitas-M small molecule compound
tert-butyl (4-{(E)-[2-({[2-chloro-5-(trifluoromethyl)phenyl](phenylsulfonyl)amino}acetyl)hydrazinylidene]methyl}phenoxy)acetate (non-preferred name)
Catalog ID
STL032463
SMILES O=C(CN(S(=O)(=O)c1ccccc1)c1cc(ccc1Cl)C(F)(F)F)N/N=C/c1ccc(cc1)OCC(=O)OC(C)(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 C28H27ClF3N3O6S MW 626.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClF3N3O6S/c1-27(2,3)41-26(37)18-40-21-12-9-19(10-13-21)16-33-34-25(36)17-35(42(38,39)22-7-5-4-6-8-22)24-15-20(28(30,31)32)11-14-23(24)29/h4-16H,17-18H2,1-3H3,(H,34,36)/b33-16+InChIKey
QIVFEGOGRGFFPL-MHDJOFBISA-NSynonyms
CC(C)(C)OC(=O)COC1=CC=C(C=C1)C=NNC(=O)CN(C2=C(C=CC(=C2)C(F)(F)F)Cl)S(=O)(=O)C3=CC=CC=C3
InChI=1SC28H27ClF3N3O6Sc127(23)4126(37)18402112919(101321)16333425(36)1735(42(3839)227546822)241520(28(3031)32)111423(24)29h416H1718H213H3(H3436)b3316+
MFCD03232086
O=C(CN(S(=O)(=O)c1ccccc1)c1cc(ccc1Cl)C(F)(F)F)NN=Cc1ccc(cc1)OCC(=O)OC(C)(C)C
tertbutyl(4((E)(2(((2chloro5(trifluoromethyl)phenyl)(phenylsulfonyl)amino)acetyl)hydrazinylidene)methyl)phenoxy)acetate(nonpreferredname)
TERTBUTYL(4(2((2CHLORO(PHENYLSULFONYL)5(TRIFLUOROMETHYL)ANILINO)ACETYL)CARBOHYDRAZONOYL)PHENOXY)ACETATE
tertbutyl2(4((E)((2(N(benzenesulfonyl)2chloro5(trifluoromethyl)anilino)acetyl)hydrazinylidene)methyl)phenoxy)acetate
ZINC000008384486
ZINC102944578
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.