Vitas-M small molecule compound
5-(4-tert-butylphenyl)-4-({(E)-[4-(trifluoromethyl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK848478
SMILES S=c1[nH]nc(n1/N=C/c1ccc(cc1)C(F)(F)F)c1ccc(cc1)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 C20H19F3N4S MW 404.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19F3N4S/c1-19(2,3)15-10-6-14(7-11-15)17-25-26-18(28)27(17)24-12-13-4-8-16(9-5-13)20(21,22)23/h4-12H,1-3H3,(H,26,28)/b24-12+InChIKey
WHDZNLIGCCUTFB-WYMPLXKRSA-NSynonyms
380457-96-53(4TERTBUTYLPHENYL)4((E)(4(TRIFLUOROMETHYL)PHENYL)METHYLIDENEAMINO)1H124TRIAZOLE5THIONE
380457965
4((1E)2(4(TRIFLUOROMETHYL)PHENYL)1AZAVINYL)5(4(TERTBUTYL)PHENYL)124TRIAZOLE3THIOL
5(4tertbutylphenyl)4(((E)(4(trifluoromethyl)phenyl)methylidene)amino)24dihydro3H124triazole3thione
CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(F)(F)F
InChI=1SC20H19F3N4Sc119(23)1510614(71115)17252618(28)27(17)2412134816(9513)20(2122)23h412H13H3(H2628)b2412+
MFCD07209467
S=c1(nH)nc(n1N=Cc1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(C)(C)C
ZINC000005857610
ZINC33383799
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