Vitas-M small molecule compound
3-(azepan-1-ylmethyl)-6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL086175
SMILES COc1cc(/C=C/c2nn3c(s2)nnc3CN2CCCCCC2)ccc1OC
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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 C20H25N5O2S MW 399.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O2S/c1-26-16-9-7-15(13-17(16)27-2)8-10-19-23-25-18(21-22-20(25)28-19)14-24-11-5-3-4-6-12-24/h7-10,13H,3-6,11-12,14H2,1-2H3/b10-8+InChIKey
YGYOKYNNWFMQEH-CSKARUKUSA-NSynonyms
1246086-05-4(E)3(azepan1ylmethyl)6(34dimethoxystyryl)(124)triazolo(34b)(134)thiadiazole
1246086054
3(azepan1ylmethyl)6((E)2(34dimethoxyphenyl)ethenyl)(124)triazolo(34b)(134)thiadiazole
COC1=C(C=C(C=C1)C=CC2=NN3C(=NN=C3S2)CN4CCCCCC4)OC
COc1cc(C=Cc2nn3c(s2)nnc3CN2CCCCCC2)ccc1OC
InChI=1SC20H25N5O2Sc126169715(1317(16)272)81019232518(212220(25)2819)14241153461224h71013H36111214H212H3b108+
MFCD18069948
ZINC000049550265
ZINC49550265
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