Vitas-M small molecule compound

ethyl 4-[N-(3-bromophenyl)-N-(methylsulfonyl)glycyl]piperazine-1-carboxylate

Catalog ID
STL121216
SMILES CCOC(=O)N1CCN(CC1)C(=O)CN(S(=O)(=O)C)c1cccc(c1)Br

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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 C16H22BrN3O5S MW 448.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22BrN3O5S/c1-3-25-16(22)19-9-7-18(8-10-19)15(21)12-20(26(2,23)24)14-6-4-5-13(17)11-14/h4-6,11H,3,7-10,12H2,1-2H3
InChIKey
CZFNOFWPXALDGL-UHFFFAOYSA-N
Synonyms

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C
ETHYL4(2(3BROMONMETHYLSULFONYLANILINO)ACETYL)PIPERAZINE1CARBOXYLATE
ETHYL4(2(N(3BROMOPHENYL)METHANESULFONAMIDO)ACETYL)PIPERAZINE1CARBOXYLATE
ethyl4(N(3bromophenyl)N(methylsulfonyl)glycyl)piperazine1carboxylate
InChI=1SC16H22BrN3O5Sc132516(22)199718(81019)15(21)1220(26(223)24)1464513(17)1114h4611H371012H212H3
MFCD02917676
ZINC000002980979
ZINC02980979
ZINC2980979

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Available files

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