Vitas-M small molecule compound

5-(5-phenyl-1H-pyrazol-3-yl)-4-({(E)-[4-(trifluoromethyl)phenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol

Catalog ID
STL042249
SMILES Sc1nnc(n1/N=C/c1ccc(cc1)C(F)(F)F)c1n[nH]c(c1)c1ccccc1

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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 C19H13F3N6S MW 414.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13F3N6S/c20-19(21,22)14-8-6-12(7-9-14)11-23-28-17(26-27-18(28)29)16-10-15(24-25-16)13-4-2-1-3-5-13/h1-11H,(H,24,25)(H,27,29)/b23-11+
InChIKey
MIOATUYRMZNLJD-FOKLQQMPSA-N
Synonyms
1037558-86-3
(E)5(3phenyl1Hpyrazol5yl)4((4(trifluoromethyl)benzylidene)amino)4H124triazole3thiol
1037558863
3(3PHENYL1HPYRAZOL5YL)4((E)(4(TRIFLUOROMETHYL)PHENYL)METHYLIDENEAMINO)1H124TRIAZOLE5THIONE
4((1E)2(4(TRIFLUOROMETHYL)PHENYL)1AZAVINYL)5(3PHENYLPYRAZOL5YL)124TRIAZOLE3THIOL
5(5phenyl1Hpyrazol3yl)4(((E)(4(trifluoromethyl)phenyl)methylidene)amino)4H124triazole3thiol
C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3N=CC4=CC=C(C=C4)C(F)(F)F
InChI=1SC19H13F3N6Sc2019(2122)148612(7914)11232817(262718(28)29)161015(242516)134213513h111H(H2425)(H2729)b2311+
MFCD05725109
Sc1nnc(n1N=Cc1ccc(cc1)C(F)(F)F)c1(nH)nc(c1)c1ccccc1
Sc1nnc(n1N=Cc1ccc(cc1)C(F)(F)F)c1n(nH)c(c1)c1ccccc1
ZINC000009292534
ZINC33332455

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.