Vitas-M small molecule compound

3-tert-butyl-6-(3-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STK824373
SMILES COc1cccc(c1)c1nn2c(s1)nnc2C(C)(C)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 C14H16N4OS MW 288.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N4OS/c1-14(2,3)12-15-16-13-18(12)17-11(20-13)9-6-5-7-10(8-9)19-4/h5-8H,1-4H3
InChIKey
QJESNJQERQDFKQ-UHFFFAOYSA-N
Synonyms
876885-05-1
3(3TERTBUTYL(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)PHENYLMETHYLETHER
3(tertbutyl)6(3methoxyphenyl)(124)triazolo(34b)(134)thiadiazole
3tertbutyl6(3methoxyphenyl)(124)triazolo(34b)(134)thiadiazole
876885051
CC(C)(C)C1=NN=C2N1N=C(S2)C3=CC(=CC=C3)OC
InChI=1SC14H16N4OSc114(23)1215161318(12)1711(2013)965710(89)194h58H14H3
MFCD06601246
ZINC000002227973
ZINC02227973
ZINC2227973

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Available files

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