Vitas-M small molecule compound

ethyl 3-oxo-4-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)butanoate

Catalog ID
STK073284
SMILES CCOC(=O)CC(=O)CSc1nnc2n1c1ccccc1s2

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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 C14H13N3O3S2 MW 335.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N3O3S2/c1-2-20-12(19)7-9(18)8-21-13-15-16-14-17(13)10-5-3-4-6-11(10)22-14/h3-6H,2,7-8H2,1H3
InChIKey
LIIYREHBFUIGGS-UHFFFAOYSA-N
Synonyms
489415-39-6
3KETO4((124)TRIAZOLO(34B)(13)BENZOTHIAZOL1YLTHIO)BUTYRICACIDETHYLESTER
3OXO4((124)TRIAZOLO(34B)(13)BENZOTHIAZOL1YLTHIO)BUTANOICACIDETHYLESTER
489415396
CCOC(=O)CC(=O)CSC1=NN=C2N1C3=CC=CC=C3S2
CCOC(=O)CC(=O)CSc1nnc2n1c1ccccc1s2
ETHYL3OXIDANYLIDENE4((124)TRIAZOLO(34B)(13)BENZOTHIAZOL1YLSULFANYL)BUTANOATE
ETHYL3OXO4((124)TRIAZOLO(34B)(13)BENZOTHIAZOL1YLSULFANYL)BUTANOATE
ETHYL3OXO4((124)TRIAZOLO(34B)(13)BENZOTHIAZOL3YLSULFANYL)BUTANOATE
ETHYL4(4HYDRO124TRIAZOLO(34B)BENZOTHIAZOL3YLTHIO)3OXOBUTANOATE
ethyl4(benzo(45)thiazolo(23c)(124)triazol3ylthio)3oxobutanoate
InChI=1SC14H13N3O3S2c122012(19)79(18)8211315161417(13)10534611(10)2214h36H278H21H3
MFCD03296485
STK073284
ZINC000002486956
ZINC02486956
ZINC2486956

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Available files

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