Vitas-M small molecule compound
3-(azepan-1-ylmethyl)-6-(1,3-benzodioxol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL086180
SMILES C1CCCN(CC1)Cc1nnc2n1nc(s2)c1ccc2c(c1)OCO2
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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 C17H19N5O2S MW 357.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N5O2S/c1-2-4-8-21(7-3-1)10-15-18-19-17-22(15)20-16(25-17)12-5-6-13-14(9-12)24-11-23-13/h5-6,9H,1-4,7-8,10-11H2InChIKey
AUTMWUAGMVPMAN-UHFFFAOYSA-NSynonyms
1246067-98-01246067980
3(1AZEPANYLMETHYL)6(13BENZODIOXOL5YL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
3(azepan1ylmethyl)6(13benzodioxol5yl)(124)triazolo(34b)(134)thiadiazole
3(azepan1ylmethyl)6(benzo(d)(13)dioxol5yl)(124)triazolo(34b)(134)thiadiazole
C1CCCN(CC1)CC2=NN=C3N2N=C(S3)C4=CC5=C(C=C4)OCO5
InChI=1SC17H19N5O2Sc124821(731)101518191722(15)2016(2517)12561314(912)24112313h569H14781011H2
MFCD18066847
ZINC000049546018
ZINC49546018
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