Vitas-M small molecule compound
2-{2-[3-(azepan-1-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl}-1H-isoindole-1,3(2H)-dione
Catalog ID
STL086188
SMILES O=C1N(CCc2sc3n(n2)c(nn3)CN2CCCCCC2)C(=O)c2c1cccc2
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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 C20H22N6O2S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O2S/c27-18-14-7-3-4-8-15(14)19(28)25(18)12-9-17-23-26-16(21-22-20(26)29-17)13-24-10-5-1-2-6-11-24/h3-4,7-8H,1-2,5-6,9-13H2InChIKey
GVVADBGCRJANHA-UHFFFAOYSA-NSynonyms
1260946-21-11260946211
2(2(3(azepan1ylmethyl)(124)triazolo(34b)(134)thiadiazol6yl)ethyl)1Hisoindole13(2H)dione
2(2(3(azepan1ylmethyl)(124)triazolo(34b)(134)thiadiazol6yl)ethyl)isoindole13dione
2(2(3(azepan1ylmethyl)(124)triazolo(34b)(134)thiadiazol6yl)ethyl)isoindoline13dione
C1CCCN(CC1)CC2=NN=C3N2N=C(S3)CCN4C(=O)C5=CC=CC=C5C4=O
InChI=1SC20H22N6O2Sc271814734815(14)19(28)25(18)12917232616(212220(26)2917)13241051261124h3478H1256913H2
MFCD18203628
ZINC000057524695
ZINC57524695
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