Vitas-M small molecule compound
4-[2-chloro-5-(trifluoromethyl)phenyl]-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK596393
SMILES Clc1ccc(cc1n1c(=S)[nH]nc1c1[nH]nc(c1)c1ccco1)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 C16H9ClF3N5OS MW 411.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9ClF3N5OS/c17-9-4-3-8(16(18,19)20)6-12(9)25-14(23-24-15(25)27)11-7-10(21-22-11)13-2-1-5-26-13/h1-7H,(H,21,22)(H,24,27)InChIKey
AZNPSPJCZLPRCJ-UHFFFAOYSA-NSynonyms
955858-04-54(2CHLORO5(TRIFLUOROMETHYL)PHENYL)3(5(FURAN2YL)1HPYRAZOL3YL)1H124TRIAZOLE5THIONE
4(2chloro5(trifluoromethyl)phenyl)5(3(furan2yl)1Hpyrazol5yl)24dihydro3H124triazole3thione
4(2CHLORO5TRIFLUOROMETHYLPHENYL)5(5FURAN2YL2HPYRAZOL3YL)4H(124)TRIAZOLE3THIOL
955858045
C1=COC(=C1)C2=CC(=NN2)C3=NNC(=S)N3C4=C(C=CC(=C4)C(F)(F)F)Cl
Clc1ccc(cc1n1c(=S)(nH)nc1c1(nH)nc(c1)c1ccco1)C(F)(F)F
InChI=1SC16H9ClF3N5OSc179438(16(1819)20)612(9)2514(232415(25)27)11710(212211)132152613h17H(H2122)(H2427)
MFCD07204838
ZINC000015985554
ZINC15985554
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