Vitas-M small molecule compound

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

Catalog ID
STK467784
SMILES CCOC(=O)CSc1nnc(n1C)c1ccccn1

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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 C12H14N4O2S MW 278.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N4O2S/c1-3-18-10(17)8-19-12-15-14-11(16(12)2)9-6-4-5-7-13-9/h4-7H,3,8H2,1-2H3
InChIKey
IKTLKHOETUAWLR-UHFFFAOYSA-N
Synonyms

CCOC(=O)CSC1=NN=C(N1C)C2=CC=CC=N2
ethyl((4methyl5(pyridin2yl)4H124triazol3yl)sulfanyl)acetate
ETHYL2((4METHYL5PYRIDIN2YL124TRIAZOL3YL)SULFANYL)ACETATE
ETHYL2(4METHYL5(2PYRIDYL)124TRIAZOL3YLTHIO)ACETATE
InChI=1SC12H14N4O2Sc131810(17)81912151411(16(12)2)96457139h47H38H212H3
MFCD07060783
ZINC000006726303
ZINC06726303
ZINC6726303

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Available files

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