Vitas-M small molecule compound
3-(azepan-1-ylmethyl)-6-(3-methoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL086146
SMILES COc1cccc(c1)c1nn2c(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/c1-23-14-8-6-7-13(11-14)16-20-22-15(18-19-17(22)24-16)12-21-9-4-2-3-5-10-21/h6-8,11H,2-5,9-10,12H2,1H3InChIKey
GBVZLLSCYOPGCA-UHFFFAOYSA-NSynonyms
1246046-04-71246046047
3(3(1AZEPANYLMETHYL)(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)PHENYLMETHYLETHER
3(azepan1ylmethyl)6(3methoxyphenyl)(124)triazolo(34b)(134)thiadiazole
COC1=CC=CC(=C1)C2=NN3C(=NN=C3S2)CN4CCCCCC4
InChI=1SC17H21N5OSc1231486713(1114)16202215(181917(22)2416)1221942351021h6811H2591012H21H3
MFCD18070269
ZINC000049550701
ZINC49550701
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