Vitas-M small molecule compound
3-(3-methyl-1-benzofuran-2-yl)-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL406596
SMILES COc1cc(/C=C/c2nn3c(s2)nnc3c2oc3c(c2C)cccc3)cc(c1OC)OC
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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 C23H20N4O4S MW 448.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O4S/c1-13-15-7-5-6-8-16(15)31-20(13)22-24-25-23-27(22)26-19(32-23)10-9-14-11-17(28-2)21(30-4)18(12-14)29-3/h5-12H,1-4H3/b10-9+InChIKey
MGMATUWTRKBQME-MDZDMXLPSA-NSynonyms
3(3methyl1benzofuran2yl)6((E)2(345trimethoxyphenyl)ethenyl)(124)triazolo(34b)(134)thiadiazole
3(3METHYL1BENZOFURAN2YL)6(2(345TRIMETHOXYPHENYL)VINYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
CC1=C(OC2=CC=CC=C12)C3=NN=C4N3N=C(S4)C=CC5=CC(=C(C(=C5)OC)OC)OC
COc1cc(C=Cc2nn3c(s2)nnc3c2oc3c(c2C)cccc3)cc(c1OC)OC
InChI=1SC23H20N4O4Sc11315756816(15)3120(13)2224252327(22)2619(3223)109141117(282)21(304)18(1214)293h512H14H3b109+
MFCD28988046
ZINC000096194389
ZINC96194389
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