Vitas-M small molecule compound

ethyl 4-{[(4-bromobenzyl)sulfanyl]acetyl}piperazine-1-carboxylate

Catalog ID
STK358399
SMILES CCOC(=O)N1CCN(CC1)C(=O)CSCc1ccc(cc1)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 C16H21BrN2O3S MW 401.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21BrN2O3S/c1-2-22-16(21)19-9-7-18(8-10-19)15(20)12-23-11-13-3-5-14(17)6-4-13/h3-6H,2,7-12H2,1H3
InChIKey
BMSRHOFGAZKINE-UHFFFAOYSA-N
Synonyms

CCOC(=O)N1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)Br
ETHYL4(((4BROMOBENZYL)SULFANYL)ACETYL)PIPERAZINE1CARBOXYLATE
ETHYL4(((4BROMOBENZYL)THIO)ACETYL)1PIPERAZINECARBOXYLATE
ETHYL4(2((4BROMOPHENYL)METHYLSULFANYL)ACETYL)PIPERAZINE1CARBOXYLATE
InChI=1SC16H21BrN2O3Sc122216(21)199718(81019)15(20)122311133514(17)6413h36H2712H21H3
MFCD05836265
ZINC000004828748
ZINC04828748
ZINC4828748

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Available files

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