Vitas-M small molecule compound

propan-2-yl {[4-(4-methylphenyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

Catalog ID
STK851891
SMILES CC(OC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccccn1)C

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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 C19H20N4O2S MW 368.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O2S/c1-13(2)25-17(24)12-26-19-22-21-18(16-6-4-5-11-20-16)23(19)15-9-7-14(3)8-10-15/h4-11,13H,12H2,1-3H3
InChIKey
CAQGJIJBUSXSML-UHFFFAOYSA-N
Synonyms
852404-77-4
852404774
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC(C)C)C3=CC=CC=N3
InChI=1SC19H20N4O2Sc113(2)2517(24)122619222118(16645112016)23(19)159714(3)81015h41113H12H213H3
isopropyl2((5(pyridin2yl)4(ptolyl)4H124triazol3yl)thio)acetate
METHYLETHYL2(4(4METHYLPHENYL)5(2PYRIDYL)124TRIAZOL3YLTHIO)ACETATE
MFCD06603141
propan2yl((4(4methylphenyl)5(pyridin2yl)4H124triazol3yl)sulfanyl)acetate
PROPAN2YL2((4(4METHYLPHENYL)5(PYRIDIN2YL)4H124TRIAZOL3YL)SULFANYL)ACETATE
PROPAN2YL2((4(4METHYLPHENYL)5PYRIDIN2YL124TRIAZOL3YL)SULFANYL)ACETATE
ZINC000002237420
ZINC02237420
ZINC2237420

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Available files

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