Vitas-M small molecule compound
3-(azepan-1-ylmethyl)-6-(2-ethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL086150
SMILES CCOc1ccccc1c1nn2c(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 C18H23N5OS MW 357.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N5OS/c1-2-24-15-10-6-5-9-14(15)17-21-23-16(19-20-18(23)25-17)13-22-11-7-3-4-8-12-22/h5-6,9-10H,2-4,7-8,11-13H2,1H3InChIKey
AWMBQIGTEFEKPL-UHFFFAOYSA-NSynonyms
2(3(1AZEPANYLMETHYL)(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)PHENYLETHYLETHER
3(azepan1ylmethyl)6(2ethoxyphenyl)(124)triazolo(34b)(134)thiadiazole
CCOC1=CC=CC=C1C2=NN3C(=NN=C3S2)CN4CCCCCC4
InChI=1SC18H23N5OSc1224151065914(15)17212316(192018(23)2517)13221173481222h56910H24781113H21H3
MFCD18203601
ZINC000057524564
ZINC57524564
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