Vitas-M small molecule compound
3-(azepan-1-ylmethyl)-6-(2-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL086145
SMILES COc1ccccc1c1nn2c(s1)nnc2CN1CCCCCC1
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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 C17H21N5OS MW 343.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N5OS/c1-23-14-9-5-4-8-13(14)16-20-22-15(18-19-17(22)24-16)12-21-10-6-2-3-7-11-21/h4-5,8-9H,2-3,6-7,10-12H2,1H3InChIKey
XONYQPWAHAUWKK-UHFFFAOYSA-NSynonyms
1261013-62-01261013620
2(3(1AZEPANYLMETHYL)(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)PHENYLMETHYLETHER
3(azepan1ylmethyl)6(2methoxyphenyl)(124)triazolo(34b)(134)thiadiazole
COC1=CC=CC=C1C2=NN3C(=NN=C3S2)CN4CCCCCC4
InChI=1SC17H21N5OSc12314954813(14)16202215(181917(22)2416)12211062371121h4589H23671012H21H3
MFCD18203600
ZINC000057524561
ZINC57524561
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