Vitas-M small molecule compound

ethyl 4-[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]piperazine-1-carboxylate

Catalog ID
STK946783
SMILES CCOC(=O)N1CCN(CC1)C(=O)CN1C(=O)c2c(S1(=O)=O)cccc2

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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 C16H19N3O6S MW 381.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O6S/c1-2-25-16(22)18-9-7-17(8-10-18)14(20)11-19-15(21)12-5-3-4-6-13(12)26(19,23)24/h3-6H,2,7-11H2,1H3
InChIKey
XYZYIWJPBQEBNA-UHFFFAOYSA-N
Synonyms
445265-08-7
4(2(113TRIOXO13DIHYDRO1LAMBDA6BENZO(D)ISOTHIAZOL2YL)ACETYL)PIPERAZINE1CARBOXYLICACIDETHYLESTER
445265087
CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O
ethyl4((11dioxido3oxo12benzothiazol2(3H)yl)acetyl)piperazine1carboxylate
ETHYL4(2(113TRIOXO12BENZOTHIAZOL2YL)ACETYL)PIPERAZINE1CARBOXYLATE
ETHYL4(2(113TRIOXO2HYDROBENZO(D)ISOTHIAZOL2YL)ACETYL)PIPERAZINECARBOXYLATE
ETHYL4(2(11DIOXIDO3OXOBENZO(D)ISOTHIAZOL2(3H)YL)ACETYL)PIPERAZINE1CARBOXYLATE
InChI=1SC16H19N3O6Sc122516(22)189717(81018)14(20)111915(21)12534613(12)26(1923)24h36H2711H21H3
MFCD03270446
ZINC000000802834
ZINC00802834
ZINC802834

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Available files

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