Vitas-M small molecule compound
3-(azepan-1-ylmethyl)-6-[(2-methylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL112720
SMILES Cc1ccccc1OCc1nn2c(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/c1-14-8-4-5-9-15(14)24-13-17-21-23-16(19-20-18(23)25-17)12-22-10-6-2-3-7-11-22/h4-5,8-9H,2-3,6-7,10-13H2,1H3InChIKey
UBEGSXHQOLEVSZ-UHFFFAOYSA-NSynonyms
(3(1AZEPANYLMETHYL)(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)METHYL2METHYLPHENYLETHER
3(azepan1ylmethyl)6((2methylphenoxy)methyl)(124)triazolo(34b)(134)thiadiazole
CC1=CC=CC=C1OCC2=NN3C(=NN=C3S2)CN4CCCCCC4
InChI=1SC18H23N5OSc114845915(14)241317212316(192018(23)2517)12221062371122h4589H23671013H21H3
MFCD19028700
ZINC000067239873
ZINC67239873
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