Vitas-M small molecule compound

methyl 2-({(1E)-1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-4-yl]ethylidene}amino)-4,5-dimethoxybenzoate

Catalog ID
STK040925
SMILES COC(=O)c1cc(OC)c(cc1/N=C(/c1c(=O)n([nH]c1C(F)(F)F)c1nc2c(s1)cccc2)\C)OC

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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 C23H19F3N4O5S MW 520.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19F3N4O5S/c1-11(27-14-10-16(34-3)15(33-2)9-12(14)21(32)35-4)18-19(23(24,25)26)29-30(20(18)31)22-28-13-7-5-6-8-17(13)36-22/h5-10,29H,1-4H3/b27-11+
InChIKey
PXFYQTPTWVHADV-LUOAPIJWSA-N
Synonyms

COC(=O)c1cc(OC)c(cc1N=C(c1c(=O)n((nH)c1C(F)(F)F)c1nc2c(s1)cccc2)C)OC
MFCD03033833
STK040925
ZINC000100424101

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Available files

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