Vitas-M small molecule compound

ethyl 2-(1,3-benzothiazol-2-ylamino)-3,3,3-trifluoro-N-(pyridin-3-ylcarbonyl)alaninate

Catalog ID
STK528692
SMILES CCOC(=O)C(C(F)(F)F)(NC(=O)c1cccnc1)Nc1nc2c(s1)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 C18H15F3N4O3S MW 424.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15F3N4O3S/c1-2-28-15(27)17(18(19,20)21,24-14(26)11-6-5-9-22-10-11)25-16-23-12-7-3-4-8-13(12)29-16/h3-10H,2H2,1H3,(H,23,25)(H,24,26)
InChIKey
WDFLPZGRUIEFJD-UHFFFAOYSA-N
Synonyms
256325-80-1
256325801
CCOC(=O)C(C(F)(F)F)(NC1=NC2=CC=CC=C2S1)NC(=O)C3=CN=CC=C3
ETHYL2(13BENZOTHIAZOL2YLAMINO)333TRIFLUORO2((3PYRIDINYLCARBONYL)AMINO)PROPANOATE
ETHYL2(13BENZOTHIAZOL2YLAMINO)333TRIFLUORO2((3PYRIDYLCARBONYL)AMINO)PROPANOATE
ETHYL2(13BENZOTHIAZOL2YLAMINO)333TRIFLUORO2(PYRIDINE3CARBONYLAMINO)PROPANOATE
ethyl2(13benzothiazol2ylamino)333trifluoroN(pyridin3ylcarbonyl)alaninate
ETHYL2(2BENZOTHIAZOLYLAMINO)333TRIFLUORO2NICOTINAMIDOPROPIONATE
ethyl2(benzo(d)thiazol2ylamino)333trifluoro2(nicotinamido)propanoate
ETHYLN13BENZOTHIAZOL2YL333TRIFLUORO2((PYRIDIN3YLCARBONYL)AMINO)DALANINATE
InChI=1SC18H15F3N4O3Sc122815(27)17(18(1920)212414(26)11659221011)25162312734813(12)2916h310H2H21H3(H2325)(H2426)
MFCD00829373
ZINC000008974280
ZINC000008974281

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Available files

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