Vitas-M small molecule compound

ethyl 4-{N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(methylsulfonyl)glycyl}piperazine-1-carboxylate

Catalog ID
STK917314
SMILES CCOC(=O)N1CCN(CC1)C(=O)CN(S(=O)(=O)C)c1ccc(c(c1)C(F)(F)F)Cl

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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 C17H21ClF3N3O5S MW 471.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21ClF3N3O5S/c1-3-29-16(26)23-8-6-22(7-9-23)15(25)11-24(30(2,27)28)12-4-5-14(18)13(10-12)17(19,20)21/h4-5,10H,3,6-9,11H2,1-2H3
InChIKey
VETGIKKAQNAUQE-UHFFFAOYSA-N
Synonyms

CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC(=C(C=C2)Cl)C(F)(F)F)S(=O)(=O)C
ETHYL4(2(4CHLORONMETHYLSULFONYL3(TRIFLUOROMETHYL)ANILINO)ACETYL)PIPERAZINE1CARBOXYLATE
ethyl4(N(4chloro3(trifluoromethyl)phenyl)N(methylsulfonyl)glycyl)piperazine1carboxylate
InChI=1SC17H21ClF3N3O5Sc132916(26)238622(7923)15(25)1124(30(227)28)124514(18)13(1012)17(1920)21h4510H36911H212H3
MFCD04208471
ZINC000006553171
ZINC06553171
ZINC6553171

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Available files

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