Vitas-M small molecule compound
5-(3-tert-butyl-1H-pyrazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK579456
SMILES S=c1[nH]nc(n1c1ccccc1C(F)(F)F)c1[nH]nc(c1)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 C16H16F3N5S MW 367.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16F3N5S/c1-15(2,3)12-8-10(20-21-12)13-22-23-14(25)24(13)11-7-5-4-6-9(11)16(17,18)19/h4-8H,1-3H3,(H,20,21)(H,23,25)InChIKey
QGJMQHKIDABKNC-UHFFFAOYSA-NSynonyms
879462-04-13(5TERTBUTYL1HPYRAZOL3YL)4(2(TRIFLUOROMETHYL)PHENYL)1H124TRIAZOLE5THIONE
5(3tertbutyl1Hpyrazol5yl)4(2(trifluoromethyl)phenyl)24dihydro3H124triazole3thione
879462041
CC(C)(C)C1=CC(=NN1)C2=NNC(=S)N2C3=CC=CC=C3C(F)(F)F
InChI=1SC16H16F3N5Sc115(23)12810(202112)13222314(25)24(13)1175469(11)16(1718)19h48H13H3(H2021)(H2325)
MFCD07208461
S=c1(nH)nc(n1c1ccccc1C(F)(F)F)c1(nH)nc(c1)C(C)(C)C
ZINC000009013005
ZINC9013005
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