Vitas-M small molecule compound

ethyl 4-[N-(4-chlorophenyl)-N-(methylsulfonyl)alanyl]piperazine-1-carboxylate

Catalog ID
STL087229
SMILES CCOC(=O)N1CCN(CC1)C(=O)C(N(S(=O)(=O)C)c1ccc(cc1)Cl)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 C17H24ClN3O5S MW 417.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H24ClN3O5S/c1-4-26-17(23)20-11-9-19(10-12-20)16(22)13(2)21(27(3,24)25)15-7-5-14(18)6-8-15/h5-8,13H,4,9-12H2,1-3H3
InChIKey
FQGJDYAVPWIOOW-UHFFFAOYSA-N
Synonyms

CCOC(=O)N1CCN(CC1)C(=O)C(C)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C
ETHYL4(2(4CHLORONMETHYLSULFONYLANILINO)PROPANOYL)PIPERAZINE1CARBOXYLATE
ethyl4(N(4chlorophenyl)N(methylsulfonyl)alanyl)piperazine1carboxylate
ETHYL4(N(4CHLOROPHENYL)N(METHYLSULFONYL)DALANYL)PIPERAZINE1CARBOXYLATE
InChI=1SC17H24ClN3O5Sc142617(23)2011919(101220)16(22)13(2)21(27(324)25)157514(18)6815h5813H4912H213H3
MFCD05835896
ZINC000002873582
ZINC000002873583

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Available files

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