Vitas-M small molecule compound

3-ethyl-6-[(2-methylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STK289452
SMILES CCc1nnc2n1nc(s2)COc1ccccc1C

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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 C13H14N4OS MW 274.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4OS/c1-3-11-14-15-13-17(11)16-12(19-13)8-18-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3
InChIKey
WUPXCWUZXZBTNN-UHFFFAOYSA-N
Synonyms

(3ETHYL(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)METHYL2METHYLPHENYLETHER
3ETHYL6((2METHYLPHENOXY)METHYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
3ETHYL6OTOLYLOXYMETHYL(124)TRIAZOLO(34B)(134)THIADIAZOLE
CCC1=NN=C2N1N=C(S2)COC3=CC=CC=C3C
InChI=1SC13H14N4OSc131114151317(11)1612(1913)8181075469(10)2h47H38H212H3
MFCD07188295
ZINC000004487489
ZINC04487489
ZINC4487489

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Available files

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