Vitas-M small molecule compound

4-({(E)-[3-(benzyloxy)-4-methoxyphenyl]methylidene}amino)-5-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK599207
SMILES COc1ccc(cc1OCc1ccccc1)/C=N/n1c(=S)[nH]nc1c1ccccc1F

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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 C23H19FN4O2S MW 434.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19FN4O2S/c1-29-20-12-11-17(13-21(20)30-15-16-7-3-2-4-8-16)14-25-28-22(26-27-23(28)31)18-9-5-6-10-19(18)24/h2-14H,15H2,1H3,(H,27,31)/b25-14+
InChIKey
UGZXJZILJIUWDW-AFUMVMLFSA-N
Synonyms
677754-75-5
3(2fluorophenyl)4((E)(4methoxy3phenylmethoxyphenyl)methylideneamino)1H124triazole5thione
4(((E)(3(benzyloxy)4methoxyphenyl)methylidene)amino)5(2fluorophenyl)24dihydro3H124triazole3thione
4((1E)2(4METHOXY3(PHENYLMETHOXY)PHENYL)1AZAVINYL)5(2FLUOROPHENYL)124TRIAZOLE3THIOL
4((3(BENZYLOXY)4METHOXYBENZYLIDENE)AMINO)3(2FLUOROPHENYL)1H124TRIAZOLE5(4H)THIONE
677754755
COC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3F)OCC4=CC=CC=C4
COc1ccc(cc1OCc1ccccc1)C=Nn1c(=S)(nH)nc1c1ccccc1F
InChI=1SC23H19FN4O2Sc12920121117(1321(20)3015167324816)14252822(262723(28)31)189561019(18)24h214H15H21H3(H2731)b2514+
MFCD07208494
ZINC000009013037
ZINC33382905

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Available files

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