Vitas-M small molecule compound

3-(3-oxo-1,2-benzothiazol-2(3H)-yl)propanoic acid

Catalog ID
STK946249
SMILES OC(=O)CCn1sc2c(c1=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 C10H9NO3S MW 223.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H9NO3S/c12-9(13)5-6-11-10(14)7-3-1-2-4-8(7)15-11/h1-4H,5-6H2,(H,12,13)
InChIKey
SXQUSVVYDTZILU-UHFFFAOYSA-N
Synonyms
89139-48-0
12BENZISOTHIAZOLE2(3H)PROPANOICACID3OXO
3(3oxo12benzothiazol2(3H)yl)propanoicacid
3(3oxo12benzothiazol2yl)propanoicacid
3(3OXO3HBENZO(D)ISOTHIAZOL2YL)PROPIONICACID
3(3OXOBENZO(D)ISOTHIAZOL2(3H)YL)PROPANOICACID
89139480
C1=CC=C2C(=C1)C(=O)N(S2)CCC(=O)O
InChI=1SC10H9NO3Sc129(13)561110(14)731248(7)1511h14H56H2(H1213)
MFCD01560515
ZINC000022123948
ZINC22123948

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Available files

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