Vitas-M small molecule compound

N-(3-fluorophenyl)-2-{[4-(4-methoxyphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK597579
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)F)nnc1c1ccccn1

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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 C22H18FN5O2S MW 435.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18FN5O2S/c1-30-18-10-8-17(9-11-18)28-21(19-7-2-3-12-24-19)26-27-22(28)31-14-20(29)25-16-6-4-5-15(23)13-16/h2-13H,14H2,1H3,(H,25,29)
InChIKey
QPBWJDGXHIDVRK-UHFFFAOYSA-N
Synonyms
896824-45-6
896824456
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)F)C4=CC=CC=N4
InChI=1SC22H18FN5O2Sc1301810817(91118)2821(19723122419)262722(28)311420(29)251664515(23)1316h213H14H21H3(H2529)
MFCD06598048
N(3fluorophenyl)2((4(4methoxyphenyl)5(pyridin2yl)4H124triazol3yl)sulfanyl)acetamide
N(3fluorophenyl)2((4(4methoxyphenyl)5(pyridin2yl)4H124triazol3yl)thio)acetamide
N(3FLUOROPHENYL)2((4(4METHOXYPHENYL)5PYRIDIN2YL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(3FLUOROPHENYL)2(4(4METHOXYPHENYL)5(2PYRIDYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002212962
ZINC02212962
ZINC2212962

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Available files

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