Vitas-M small molecule compound

3-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-[(naphthalen-1-ylmethyl)sulfanyl]-4H-1,2,4-triazol-4-amine

Catalog ID
STL058038
SMILES Fc1ccc(cc1)c1[nH]nc(c1)c1nnc(n1N)SCc1cccc2c1cccc2

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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 C22H17FN6S MW 416.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17FN6S/c23-17-10-8-15(9-11-17)19-12-20(26-25-19)21-27-28-22(29(21)24)30-13-16-6-3-5-14-4-1-2-7-18(14)16/h1-12H,13,24H2,(H,25,26)
InChIKey
DKNCFYZQXLITPU-UHFFFAOYSA-N
Synonyms
879475-80-6
3(3(4fluorophenyl)1Hpyrazol5yl)5((naphthalen1ylmethyl)thio)4H124triazol4amine
3(3(4FLUOROPHENYL)1HPYRAZOL5YL)5(NAPHTHALEN1YLMETHYLSULFANYL)124TRIAZOL4AMINE
3(3(4FLUOROPHENYL)PYRAZOL5YL)5(NAPHTHYLMETHYLTHIO)124TRIAZOLE4YLAMINE
3(5(4fluorophenyl)1Hpyrazol3yl)5((naphthalen1ylmethyl)sulfanyl)4H124triazol4amine
879475806
C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(N3N)C4=CC(=NN4)C5=CC=C(C=C5)F
Fc1ccc(cc1)c1(nH)nc(c1)c1nnc(n1N)SCc1cccc2c1cccc2
Fc1ccc(cc1)c1n(nH)c(c1)c1nnc(n1N)SCc1cccc2c1cccc2
InChI=1SC22H17FN6Sc231710815(91117)191220(262519)21272822(29(21)24)30131663514412718(14)16h112H1324H2(H2526)
MFCD07210996
ZINC000009015489
ZINC09015489
ZINC9015489

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.