Vitas-M small molecule compound
azepan-1-yl[3-(naphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]methanethione
Catalog ID
STK806410
SMILES S=C(n1nc(cc1C(F)(F)F)c1ccc2c(c1)cccc2)N1CCCCCC1
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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 C21H20F3N3S MW 403.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20F3N3S/c22-21(23,24)19-14-18(17-10-9-15-7-3-4-8-16(15)13-17)25-27(19)20(28)26-11-5-1-2-6-12-26/h3-4,7-10,13-14H,1-2,5-6,11-12H2InChIKey
ZEMDIYLAQMCDEW-UHFFFAOYSA-NSynonyms
1((3(2NAPHTHYL)5(TRIFLUOROMETHYL)1HPYRAZOL1YL)CARBONOTHIOYL)AZEPANE
azepan1yl(3(naphthalen2yl)5(trifluoromethyl)1Hpyrazol1yl)methanethione
AZEPAN1YL(3NAPHTHALEN2YL5(TRIFLUOROMETHYL)PYRAZOL1YL)METHANETHIONE
C1CCCN(CC1)C(=S)N2C(=CC(=N2)C3=CC4=CC=CC=C4C=C3)C(F)(F)F
InChI=1SC21H20F3N3Sc2221(2324)191418(1710915734816(15)1317)2527(19)20(28)261151261226h347101314H12561112H2
MFCD02989040
ZINC000001409536
ZINC01409536
ZINC1409536
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