Vitas-M small molecule compound

ethyl 4-{[2-chloro-5-(1,1-dioxido-1,2-thiazinan-2-yl)phenyl]carbonyl}piperazine-1-carboxylate

Catalog ID
STK634299
SMILES CCOC(=O)N1CCN(CC1)C(=O)c1cc(ccc1Cl)N1CCCCS1(=O)=O

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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 C18H24ClN3O5S MW 429.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24ClN3O5S/c1-2-27-18(24)21-10-8-20(9-11-21)17(23)15-13-14(5-6-16(15)19)22-7-3-4-12-28(22,25)26/h5-6,13H,2-4,7-12H2,1H3
InChIKey
NMTSZBPTHSIPCG-UHFFFAOYSA-N
Synonyms
1011856-90-8
1011856908
CCOC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)N3CCCCS3(=O)=O)Cl
ethyl4((2chloro5(11dioxido12thiazinan2yl)phenyl)carbonyl)piperazine1carboxylate
ethyl4(2chloro5(11dioxido12thiazinan2yl)benzoyl)piperazine1carboxylate
ethyl4(2chloro5(11dioxothiazinan2yl)benzoyl)piperazine1carboxylate
InChI=1SC18H24ClN3O5Sc122718(24)2110820(91121)17(23)151314(5616(15)19)227341228(2225)26h5613H24712H21H3
MFCD10078896
ZINC000012195551
ZINC12195551

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Available files

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