Vitas-M small molecule compound
3-(1-benzofuran-2-yl)-6-(3,4,5-triethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL406524
SMILES CCOc1c(OCC)cc(cc1OCC)c1nn2c(s1)nnc2c1cc2c(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 C23H22N4O4S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S/c1-4-28-17-12-15(13-18(29-5-2)20(17)30-6-3)22-26-27-21(24-25-23(27)32-22)19-11-14-9-7-8-10-16(14)31-19/h7-13H,4-6H2,1-3H3InChIKey
NNRGYBKXNLTIBK-UHFFFAOYSA-NSynonyms
3(1benzofuran2yl)6(345triethoxyphenyl)(124)triazolo(34b)(134)thiadiazole
CCOC1=CC(=CC(=C1OCC)OCC)C2=NN3C(=NN=C3S2)C4=CC5=CC=CC=C5O4
InChI=1SC23H22N4O4Sc1428171215(1318(2952)20(17)3063)22262721(242523(27)3222)1911149781016(14)3119h713H46H213H3
MFCD28987982
ZINC000096193823
ZINC96193823
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