Vitas-M small molecule compound
4-({(E)-[2-(trifluoromethyl)phenyl]methylidene}amino)-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK587923
SMILES COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccccc1C(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 C19H17F3N4O3S MW 438.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17F3N4O3S/c1-27-14-8-12(9-15(28-2)16(14)29-3)17-24-25-18(30)26(17)23-10-11-6-4-5-7-13(11)19(20,21)22/h4-10H,1-3H3,(H,25,30)/b23-10+InChIKey
HBWYXBXPTVHNTM-AUEPDCJTSA-NSynonyms
497247-45-74(((E)(2(trifluoromethyl)phenyl)methylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((E)(2(trifluoromethyl)phenyl)methylideneamino)3(345trimethoxyphenyl)1H124triazole5thione
497247457
COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2N=CC3=CC=CC=C3C(F)(F)F
COc1cc(cc(c1OC)OC)c1n(nH)c(=S)n1N=Cc1ccccc1C(F)(F)F
InChI=1SC19H17F3N4O3Sc12714812(915(282)16(14)293)17242518(30)26(17)231011645713(11)19(2021)22h410H13H3(H2530)b2310+
MFCD07209885
ZINC000009317798
ZINC33342257
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