Vitas-M small molecule compound
3-(azepan-1-ylmethyl)-6-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL086131
SMILES C1CCCN(CC1)Cc1nnc2n1nc(s2)c1ccccc1
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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 C16H19N5S MW 313.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N5S/c1-2-7-11-20(10-6-1)12-14-17-18-16-21(14)19-15(22-16)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2InChIKey
YKJVPCSFIDLYFH-UHFFFAOYSA-NSynonyms
1246075-70-61246075706
3(1AZEPANYLMETHYL)6PHENYL(124)TRIAZOLO(34B)(134)THIADIAZOLE
3(azepan1ylmethyl)6phenyl(124)triazolo(34b)(134)thiadiazole
C1CCCN(CC1)CC2=NN=C3N2N=C(S3)C4=CC=CC=C4
InChI=1SC16H19N5Sc1271120(1061)121417181621(14)1915(2216)138435913h3589H12671012H2
MFCD18066431
ZINC000049545402
ZINC49545402
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