Vitas-M small molecule compound
3-benzyl-6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL017894
SMILES COc1cc(/C=C/c2nn3c(s2)nnc3Cc2ccccc2)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 C20H18N4O2S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S/c1-25-16-10-8-15(12-17(16)26-2)9-11-19-23-24-18(21-22-20(24)27-19)13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3/b11-9+InChIKey
QLSLYAUVXMMBCC-PKNBQFBNSA-NSynonyms
3benzyl6((E)2(34dimethoxyphenyl)ethenyl)(124)triazolo(34b)(134)thiadiazole
4((1E)2(3BENZYL(124TRIAZOLO(34B)134THIADIAZOLIN6YL))VINYL)12DIMETHOXYBENZENE
COC1=C(C=C(C=C1)C=CC2=NN3C(=NN=C3S2)CC4=CC=CC=C4)OC
COc1cc(C=Cc2nn3c(s2)nnc3Cc2ccccc2)ccc1OC
InChI=1SC20H18N4O2Sc1251610815(1217(16)262)91119232418(212220(24)2719)13146435714h312H13H212H3b119+
MFCD07528650
ZINC000012274190
ZINC12274190
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