Vitas-M small molecule compound
3-(azepan-1-ylmethyl)-6-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL145827
SMILES Cc1ccc(c(c1)OCc1nn2c(s1)nnc2CN1CCCCCC1)C(C)C
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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 C21H29N5OS MW 399.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5OS/c1-15(2)17-9-8-16(3)12-18(17)27-14-20-24-26-19(22-23-21(26)28-20)13-25-10-6-4-5-7-11-25/h8-9,12,15H,4-7,10-11,13-14H2,1-3H3InChIKey
KKVYQNPBAGVLOX-UHFFFAOYSA-NSynonyms
1246055-74-21246055742
3(azepan1ylmethyl)6((2isopropyl5methylphenoxy)methyl)(124)triazolo(34b)(134)thiadiazole
3(azepan1ylmethyl)6((5methyl2(propan2yl)phenoxy)methyl)(124)triazolo(34b)(134)thiadiazole
3(azepan1ylmethyl)6((5methyl2propan2ylphenoxy)methyl)(124)triazolo(34b)(134)thiadiazole
CC1=CC(=C(C=C1)C(C)C)OCC2=NN3C(=NN=C3S2)CN4CCCCCC4
InChI=1SC21H29N5OSc115(2)179816(3)1218(17)271420242619(222321(26)2820)13251064571125h891215H4710111314H213H3
MFCD18066779
ZINC000049545911
ZINC49545911
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