Vitas-M small molecule compound
3-(1-benzofuran-2-yl)-6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL406547
SMILES COc1cc(/C=C/c2nn3c(s2)nnc3c2cc3c(o2)cccc3)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 C21H16N4O3S MW 404.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O3S/c1-26-16-9-7-13(11-17(16)27-2)8-10-19-24-25-20(22-23-21(25)29-19)18-12-14-5-3-4-6-15(14)28-18/h3-12H,1-2H3/b10-8+InChIKey
PFBBQZMHKUARNU-CSKARUKUSA-NSynonyms
3(1benzofuran2yl)6((E)2(34dimethoxyphenyl)ethenyl)(124)triazolo(34b)(134)thiadiazole
3(1BENZOFURAN2YL)6(2(34DIMETHOXYPHENYL)VINYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
COC1=C(C=C(C=C1)C=CC2=NN3C(=NN=C3S2)C4=CC5=CC=CC=C5O4)OC
COc1cc(C=Cc2nn3c(s2)nnc3c2cc3c(o2)cccc3)ccc1OC
InChI=1SC21H16N4O3Sc126169713(1117(16)272)81019242520(222321(25)2919)181214534615(14)2818h312H12H3b108+
MFCD28988005
ZINC000096193958
ZINC96193958
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