Vitas-M small molecule compound

5-(difluoromethyl)-4-{[(E)-{4-methoxy-3-[(4-methylphenoxy)methyl]phenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol

Catalog ID
STK306979
SMILES COc1ccc(cc1COc1ccc(cc1)C)/C=N/n1c(S)nnc1C(F)F

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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 C19H18F2N4O2S MW 404.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18F2N4O2S/c1-12-3-6-15(7-4-12)27-11-14-9-13(5-8-16(14)26-2)10-22-25-18(17(20)21)23-24-19(25)28/h3-10,17H,11H2,1-2H3,(H,24,28)/b22-10+
InChIKey
XKUOZIFRPILWJL-LSHDLFTRSA-N
Synonyms
828286-92-6
3(difluoromethyl)4((E)(4methoxy3((4methylphenoxy)methyl)phenyl)methylideneamino)1H124triazole5thione
5(difluoromethyl)4(((E)(4methoxy3((4methylphenoxy)methyl)phenyl)methylidene)amino)4H124triazole3thiol
828286926
CC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C=NN3C(=NNC3=S)C(F)F)OC
COc1ccc(cc1COc1ccc(cc1)C)C=Nn1c(S)nnc1C(F)F
InChI=1SC19H18F2N4O2Sc1123615(7412)271114913(5816(14)262)10222518(17(20)21)232419(25)28h31017H11H212H3(H2428)b2210+
MFCD04047899
ZINC000002792371
ZINC33803631

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Available files

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