Vitas-M small molecule compound

methyl {4-[(E)-(2-{2-[(methylsulfonyl)(phenyl)amino]propanoyl}hydrazinylidene)methyl]phenoxy}acetate (non-preferred name)

Catalog ID
STL032414
SMILES COC(=O)COc1ccc(cc1)/C=N/NC(=O)C(N(S(=O)(=O)C)c1ccccc1)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 C20H23N3O6S MW 433.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O6S/c1-15(23(30(3,26)27)17-7-5-4-6-8-17)20(25)22-21-13-16-9-11-18(12-10-16)29-14-19(24)28-2/h4-13,15H,14H2,1-3H3,(H,22,25)/b21-13+
InChIKey
SWUILDAHBDPBTN-FYJGNVAPSA-N
Synonyms

CC(C(=O)NN=CC1=CC=C(C=C1)OCC(=O)OC)N(C2=CC=CC=C2)S(=O)(=O)C
COC(=O)COc1ccc(cc1)C=NNC(=O)C(N(S(=O)(=O)C)c1ccccc1)C
InChI=1SC20H23N3O6Sc115(23(30(326)27)177546817)20(25)2221131691118(121016)291419(24)282h41315H14H213H3(H2225)b2113+
methyl(4((E)(2(2((methylsulfonyl)(phenyl)amino)propanoyl)hydrazinylidene)methyl)phenoxy)acetate(nonpreferredname)
methyl2(4((E)(2(Nmethylsulfonylanilino)propanoylhydrazinylidene)methyl)phenoxy)acetate
MFCD03231900
ZINC000002085078
ZINC000016322169

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Available files

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