Vitas-M small molecule compound
4-{[(E)-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK113314
SMILES Fc1cccc(c1)COc1ccc(cc1Cl)/C=N/n1c(S)nnc1c1ccccc1
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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 C22H16ClFN4OS MW 438.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClFN4OS/c23-19-12-15(9-10-20(19)29-14-16-5-4-8-18(24)11-16)13-25-28-21(26-27-22(28)30)17-6-2-1-3-7-17/h1-13H,14H2,(H,27,30)/b25-13+InChIKey
ARDNWIDXOGVJHG-DHRITJCHSA-NSynonyms
4(((E)(3CHLORO4((3FLUOROBENZYL)OXY)PHENYL)METHYLIDENE)AMINO)5PHENYL4H124TRIAZOLE3THIOL
4((E)(3chloro4((3fluorophenyl)methoxy)phenyl)methylideneamino)3phenyl1H124triazole5thione
C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl
Fc1cccc(c1)COc1ccc(cc1Cl)C=Nn1c(S)nnc1c1ccccc1
InChI=1SC22H16ClFN4OSc23191215(91020(19)29141654818(24)1116)13252821(262722(28)30)176213717h113H14H2(H2730)b2513+
MFCD05134063
ZINC000009296299
ZINC33762663
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