Vitas-M small molecule compound

2-[(E)-(2-{[(2,3-dimethylphenyl)(methylsulfonyl)amino]acetyl}hydrazinylidene)methyl]benzoic acid (non-preferred name)

Catalog ID
STL026411
SMILES O=C(CN(S(=O)(=O)C)c1cccc(c1C)C)N/N=C/c1ccccc1C(=O)O

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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 C19H21N3O5S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O5S/c1-13-7-6-10-17(14(13)2)22(28(3,26)27)12-18(23)21-20-11-15-8-4-5-9-16(15)19(24)25/h4-11H,12H2,1-3H3,(H,21,23)(H,24,25)/b20-11+
InChIKey
GAZREFBWSSWXTD-RGVLZGJSSA-N
Synonyms
506447-23-0
(E)2((2(2(N(23dimethylphenyl)methylsulfonamido)acetyl)hydrazono)methyl)benzoicacid
2((1E)2(2((23DIMETHYLPHENYL)(METHYLSULFONYL)AMINO)ACETYLAMINO)2AZAVINYL)BENZOICACID
2((2((23DIMETHYLPHENYL)METHANESULFONYLAMINO)ACETYL)HYDRAZONOMETHYL)BENZOICACID
2((E)((2(23DIMETHYLNMETHYLSULFONYLANILINO)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
2((E)(2(((23dimethylphenyl)(methylsulfonyl)amino)acetyl)hydrazinylidene)methyl)benzoicacid(nonpreferredname)
506447230
CC1=C(C(=CC=C1)N(CC(=O)NN=CC2=CC=CC=C2C(=O)O)S(=O)(=O)C)C
InChI=1SC19H21N3O5Sc113761017(14(13)2)22(28(326)27)1218(23)21201115845916(15)19(24)25h411H12H213H3(H2123)(H2425)b2011+
MFCD03231922
O=C(CN(S(=O)(=O)C)c1cccc(c1C)C)NN=Cc1ccccc1C(=O)O
ZINC000002085140
ZINC15985960

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Available files

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