Vitas-M small molecule compound

2-(trifluoromethyl)-1,3-benzothiazole-6-carboxylic acid

Catalog ID
STK719740
SMILES OC(=O)c1ccc2c(c1)sc(n2)C(F)(F)F

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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 C9H4F3NO2S MW 247.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H4F3NO2S/c10-9(11,12)8-13-5-2-1-4(7(14)15)3-6(5)16-8/h1-3H,(H,14,15)
InChIKey
GSINBWGBXZPBCL-UHFFFAOYSA-N
Synonyms
55439-75-3
2(trifluoromethyl)13benzothiazole6carboxylicacid
2(TRIFLUOROMETHYL)BENZO(D)THIAZOLE6CARBOXYLICACID
55439753
C1=CC2=C(C=C1C(=O)O)SC(=N2)C(F)(F)F
InChI=1SC9H4F3NO2Sc109(1112)8135214(7(14)15)36(5)168h13H(H1415)
MFCD11108867
ZINC000019702634
ZINC19702634

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Available files

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