Vitas-M small molecule compound

ethyl 3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)propanoate

Catalog ID
STK133182
SMILES CCOC(=O)CCN1C(=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 C12H13NO5S MW 283.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NO5S/c1-2-18-11(14)7-8-13-12(15)9-5-3-4-6-10(9)19(13,16)17/h3-6H,2,7-8H2,1H3
InChIKey
XRHNRZAAXVKGNS-UHFFFAOYSA-N
Synonyms
83747-24-4
83747244
CCOC(=O)CCN1C(=O)C2=CC=CC=C2S1(=O)=O
ETHYL3(113TRIOXO12BENZOTHIAZOL2YL)PROPANOATE
ETHYL3(11DIOXIDO3OXO12BENZOTHIAZOL2(3H)YL)PROPANOATE
InChI=1SC12H13NO5Sc121811(14)781312(15)9534610(9)19(1316)17h36H278H21H3
MFCD00760682
ZINC000000061994
ZINC00061994
ZINC61994

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Available files

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