Vitas-M small molecule compound

methyl 2-[3-tert-butyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylate

Catalog ID
STL439964
SMILES COC(=O)c1csc(n1)n1nc(cc1C(F)(F)F)C(C)(C)C

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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 C13H14F3N3O2S MW 333.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14F3N3O2S/c1-12(2,3)8-5-9(13(14,15)16)19(18-8)11-17-7(6-22-11)10(20)21-4/h5-6H,1-4H3
InChIKey
BWUQXMLRHGXWAP-UHFFFAOYSA-N
Synonyms

CC(C)(C)C1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C(=O)OC
InChI=1SC13H14F3N3O2Sc112(23)859(13(1415)16)19(188)11177(62211)10(20)214h56H14H3
methyl2(3tertbutyl5(trifluoromethyl)1Hpyrazol1yl)13thiazole4carboxylate
METHYL2(3TERTBUTYL5(TRIFLUOROMETHYL)PYRAZOL1YL)13THIAZOLE4CARBOXYLATE
MFCD06239975
ZINC000001413623
ZINC01413623
ZINC1413623

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Available files

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