Vitas-M small molecule compound

ethyl 4-({1-[(2-chloro-6-fluorobenzyl)sulfonyl]piperidin-4-yl}carbonyl)piperazine-1-carboxylate

Catalog ID
STL118095
SMILES CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)Cc1c(F)cccc1Cl

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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 C20H27ClFN3O5S MW 475.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27ClFN3O5S/c1-2-30-20(27)24-12-10-23(11-13-24)19(26)15-6-8-25(9-7-15)31(28,29)14-16-17(21)4-3-5-18(16)22/h3-5,15H,2,6-14H2,1H3
InChIKey
GEOZSYGFIKUTDO-UHFFFAOYSA-N
Synonyms

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F
ethyl4((1((2chloro6fluorobenzyl)sulfonyl)piperidin4yl)carbonyl)piperazine1carboxylate
ethyl4(1((2chloro6fluorophenyl)methylsulfonyl)piperidine4carbonyl)piperazine1carboxylate
InChI=1SC20H27ClFN3O5Sc123020(27)24121023(111324)19(26)156825(9715)31(2829)141617(21)43518(16)22h3515H2614H21H3
MFCD14824052
ZINC000024613682
ZINC24613682

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Available files

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