Vitas-M small molecule compound

ethyl 4-({4-[methyl(phenylsulfonyl)amino]phenyl}carbonyl)piperazine-1-carboxylate

Catalog ID
STL138785
SMILES CCOC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)N(S(=O)(=O)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 C21H25N3O5S MW 431.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O5S/c1-3-29-21(26)24-15-13-23(14-16-24)20(25)17-9-11-18(12-10-17)22(2)30(27,28)19-7-5-4-6-8-19/h4-12H,3,13-16H2,1-2H3
InChIKey
XCTWOLFSDMEDCF-UHFFFAOYSA-N
Synonyms

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CC=C3
ethyl4((4(methyl(phenylsulfonyl)amino)phenyl)carbonyl)piperazine1carboxylate
ethyl4(4(benzenesulfonyl(methyl)amino)benzoyl)piperazine1carboxylate
InChI=1SC21H25N3O5Sc132921(26)24151323(141624)20(25)1791118(121017)22(2)30(2728)197546819h412H31316H212H3
MFCD02735331
ZINC000000886891
ZINC00886891
ZINC886891

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Available files

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