Vitas-M small molecule compound
3-(azepan-1-ylmethyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL086181
SMILES C1CCCN(CC1)Cc1nnc2n1nc(s2)c1ccc2c(c1)OCCO2
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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 C18H21N5O2S MW 371.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N5O2S/c1-2-4-8-22(7-3-1)12-16-19-20-18-23(16)21-17(26-18)13-5-6-14-15(11-13)25-10-9-24-14/h5-6,11H,1-4,7-10,12H2InChIKey
FOGYETIDAGGGDX-UHFFFAOYSA-NSynonyms
1246058-43-41246058434
3(azepan1ylmethyl)6(23dihydro14benzodioxin6yl)(124)triazolo(34b)(134)thiadiazole
3(azepan1ylmethyl)6(23dihydrobenzo(b)(14)dioxin6yl)(124)triazolo(34b)(134)thiadiazole
C1CCCN(CC1)CC2=NN=C3N2N=C(S3)C4=CC5=C(C=C4)OCCO5
InChI=1SC18H21N5O2Sc124822(731)121619201823(16)2117(2618)13561415(1113)251092414h5611H1471012H2
MFCD18068133
ZINC000049547831
ZINC49547831
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