Vitas-M small molecule compound

1-(1,3-benzothiazol-2-yl)-4-[(E)-(cycloheptylimino)methyl]-3-(trifluoromethyl)-1H-pyrazol-5-ol

Catalog ID
STK564420
SMILES Oc1n(nc(c1/C=N/C1CCCCCC1)C(F)(F)F)c1nc2c(s1)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 C19H19F3N4OS MW 408.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19F3N4OS/c20-19(21,22)16-13(11-23-12-7-3-1-2-4-8-12)17(27)26(25-16)18-24-14-9-5-6-10-15(14)28-18/h5-6,9-12,27H,1-4,7-8H2/b23-11+
InChIKey
JAWDRYILECOUNC-FOKLQQMPSA-N
Synonyms

1(13benzothiazol2yl)4((E)(cycloheptylimino)methyl)3(trifluoromethyl)1Hpyrazol5ol
MFCD03801647
Oc1n(nc(c1C=NC1CCCCCC1)C(F)(F)F)c1nc2c(s1)cccc2
ZINC000102527742

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Available files

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