Vitas-M small molecule compound

methyl 2-(1,3-benzothiazol-2-yl)-3-(trifluoromethyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate

Catalog ID
STK682595
SMILES COC(=O)C1(C2C=CC(N1c1nc3c(s1)cccc3)C2)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 C16H13F3N2O2S MW 354.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13F3N2O2S/c1-23-13(22)15(16(17,18)19)9-6-7-10(8-9)21(15)14-20-11-4-2-3-5-12(11)24-14/h2-7,9-10H,8H2,1H3
InChIKey
KTAFDVDXSBFXOK-UHFFFAOYSA-N
Synonyms
COC(=O)C1(C2CC(N1C3=NC4=CC=CC=C4S3)C=C2)C(F)(F)F
methyl2(13benzothiazol2yl)3(trifluoromethyl)2azabicyclo(221)hept5ene3carboxylate
METHYL3(13BENZOTHIAZOL2YL)2(TRIFLUOROMETHYL)3AZABICYCLO(221)HEPT5ENE2CARBOXYLATE
METHYL3BENZOTHIAZOL2YL2(TRIFLUOROMETHYL)3AZABICYCLO(221)HEPT5ENE2CARBOXYLATE
Registry IDs
MFCD03856177
ZINC000101325900
ZINC000101325903

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Available files

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