Vitas-M small molecule compound

3-(azepan-1-ylmethyl)-6-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STL086182
SMILES C1CCCN(CC1)Cc1nnc2n1nc(s2)C1COc2c(O1)cccc2

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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/c1-2-6-10-22(9-5-1)11-16-19-20-18-23(16)21-17(26-18)15-12-24-13-7-3-4-8-14(13)25-15/h3-4,7-8,15H,1-2,5-6,9-12H2
InChIKey
MVWUCOKVUJQJRK-UHFFFAOYSA-N
Synonyms
1246062-02-1
1246062021
3(azepan1ylmethyl)6(23dihydro14benzodioxin2yl)(124)triazolo(34b)(134)thiadiazole
3(azepan1ylmethyl)6(23dihydro14benzodioxin3yl)(124)triazolo(34b)(134)thiadiazole
3(azepan1ylmethyl)6(23dihydrobenzo(b)(14)dioxin2yl)(124)triazolo(34b)(134)thiadiazole
C1CCCN(CC1)CC2=NN=C3N2N=C(S3)C4COC5=CC=CC=C5O4
InChI=1SC18H21N5O2Sc1261022(951)111619201823(16)2117(2618)15122413734814(13)2515h347815H1256912H2
MFCD18066307
ZINC000049545225
ZINC000049545227

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Available files

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