Vitas-M small molecule compound

4-({(E)-[3-chloro-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK111058
SMILES C#CCOc1c(Cl)cc(cc1OC)/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 C19H15ClN4O2S MW 398.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClN4O2S/c1-3-9-26-17-15(20)10-13(11-16(17)25-2)12-21-24-18(22-23-19(24)27)14-7-5-4-6-8-14/h1,4-8,10-12H,9H2,2H3,(H,23,27)/b21-12+
InChIKey
WSNQSILQNCYMQY-CIAFOILYSA-N
Synonyms

4(((E)(3CHLORO5METHOXY4(PROP2YN1YLOXY)PHENYL)METHYLIDENE)AMINO)5PHENYL4H124TRIAZOLE3THIOL
4((E)(3chloro5methoxy4prop2ynoxyphenyl)methylideneamino)3phenyl1H124triazole5thione
C#CCOc1c(Cl)cc(cc1OC)C=Nn1c(S)nnc1c1ccccc1
COC1=C(C(=CC(=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3)Cl)OCC#C
InChI=1SC19H15ClN4O2Sc139261715(20)1013(1116(17)252)12212418(222319(24)27)147546814h1481012H9H22H3(H2327)b2112+
MFCD05134066
ZINC000004680686
ZINC33803948

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Available files

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