Vitas-M small molecule compound

methyl {[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate

Catalog ID
STK481543
SMILES C=CCn1c(SCC(=O)OC)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 C13H14N4O2S MW 290.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O2S/c1-3-8-17-12(10-6-4-5-7-14-10)15-16-13(17)20-9-11(18)19-2/h3-7H,1,8-9H2,2H3
InChIKey
YWXAXNATFRTDTE-UHFFFAOYSA-N
Synonyms

COC(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=N2
InChI=1SC13H14N4O2Sc1381712(1064571410)151613(17)20911(18)192h37H189H22H3
methyl((4(prop2en1yl)5(pyridin2yl)4H124triazol3yl)sulfanyl)acetate
METHYL2((4PROP2ENYL5PYRIDIN2YL124TRIAZOL3YL)SULFANYL)ACETATE
METHYL2(4PROP2ENYL5(2PYRIDYL)124TRIAZOL3YLTHIO)ACETATE
MFCD04016180
ZINC000000527607
ZINC00527607
ZINC527607

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Available files

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