Vitas-M small molecule compound

3-[(4-methoxyphenoxy)methyl]-6-(naphthalen-1-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STK500177
SMILES COc1ccc(cc1)OCc1nnc2n1nc(s2)Cc1cccc2c1cccc2

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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 C22H18N4O2S MW 402.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O2S/c1-27-17-9-11-18(12-10-17)28-14-20-23-24-22-26(20)25-21(29-22)13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12H,13-14H2,1H3
InChIKey
RFROKRRUIKLEMS-UHFFFAOYSA-N
Synonyms
929868-15-5
3((4methoxyphenoxy)methyl)6(naphthalen1ylmethyl)(124)triazolo(34b)(134)thiadiazole
929868155
COC1=CC=C(C=C1)OCC2=NN=C3N2N=C(S3)CC4=CC=CC5=CC=CC=C54
InChI=1SC22H18N4O2Sc1271791118(121017)28142023242226(20)2521(2922)131674615523819(15)16h212H1314H21H3
MFCD09184659
ZINC000009575350
ZINC09575350
ZINC9575350

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Available files

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