Vitas-M small molecule compound

2-(4-{(E)-[2-({4-[(2-chlorobenzyl)(methylsulfonyl)amino]phenyl}carbonyl)hydrazinylidene]methyl}phenoxy)-N-(4-fluorophenyl)acetamide

Catalog ID
STL070724
SMILES O=C(Nc1ccc(cc1)F)COc1ccc(cc1)/C=N/NC(=O)c1ccc(cc1)N(S(=O)(=O)C)Cc1ccccc1Cl

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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 C30H26ClFN4O5S MW 609.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClFN4O5S/c1-42(39,40)36(19-23-4-2-3-5-28(23)31)26-14-8-22(9-15-26)30(38)35-33-18-21-6-16-27(17-7-21)41-20-29(37)34-25-12-10-24(32)11-13-25/h2-18H,19-20H2,1H3,(H,34,37)(H,35,38)/b33-18+
InChIKey
ROTJGNCJTCRXKO-DPNNOFEESA-N
Synonyms

2(4((E)(2((4((2chlorobenzyl)(methylsulfonyl)amino)phenyl)carbonyl)hydrazinylidene)methyl)phenoxy)N(4fluorophenyl)acetamide
2(4(2(4((2CHLOROBENZYL)(METHYLSULFONYL)AMINO)BENZOYL)CARBOHYDRAZONOYL)PHENOXY)N(4FLUOROPHENYL)ACETAMIDE
4((2chlorophenyl)methylmethylsulfonylamino)N((E)(4(2(4fluoroanilino)2oxoethoxy)phenyl)methylideneamino)benzamide
CS(=O)(=O)N(CC1=CC=CC=C1Cl)C2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)F
InChI=1SC30H26ClFN4O5Sc142(3940)36(1923423528(23)31)2614822(91526)30(38)3533182161627(17721)412029(37)3425121024(32)111325h218H1920H21H3(H3437)(H3538)b3318+
MFCD03232154
O=C(Nc1ccc(cc1)F)COc1ccc(cc1)C=NNC(=O)c1ccc(cc1)N(S(=O)(=O)C)Cc1ccccc1Cl
ZINC000008384674
ZINC102949485

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.