Vitas-M small molecule compound

4-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK567439
SMILES Sc1nnc(n1/N=C/c1c(F)cccc1Cl)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 C18H12ClFN6S MW 398.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClFN6S/c19-13-7-4-8-14(20)12(13)10-21-26-17(24-25-18(26)27)16-9-15(22-23-16)11-5-2-1-3-6-11/h1-10H,(H,22,23)(H,25,27)/b21-10+
InChIKey
CKXNOZCOKFCOBR-UFFVCSGVSA-N
Synonyms
850900-03-7
(E)4((2chloro6fluorobenzylidene)amino)5(3phenyl1Hpyrazol5yl)4H124triazole3thiol
4(((E)(2chloro6fluorophenyl)methylidene)amino)5(5phenyl1Hpyrazol3yl)4H124triazole3thiol
4((1E)2(2CHLORO6FLUOROPHENYL)1AZAVINYL)5(3PHENYLPYRAZOL5YL)124TRIAZOLE3THIOL
4((E)(2CHLORO6FLUOROPHENYL)METHYLIDENEAMINO)3(3PHENYL1HPYRAZOL5YL)1H124TRIAZOLE5THIONE
850900037
C1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3N=CC4=C(C=CC=C4Cl)F
InChI=1SC18H12ClFN6Sc191374814(20)12(13)10212617(242518(26)27)16915(222316)115213611h110H(H2223)(H2527)b2110+
MFCD05729463
Sc1nnc(n1N=Cc1c(F)cccc1Cl)c1(nH)nc(c1)c1ccccc1
Sc1nnc(n1N=Cc1c(F)cccc1Cl)c1n(nH)c(c1)c1ccccc1
ZINC000005626426
ZINC33330592

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Available files

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