Vitas-M small molecule compound
3-(1-benzofuran-2-yl)-6-(3,4-dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL406530
SMILES COc1cc(ccc1OC)Cc1nn2c(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 C20H16N4O3S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O3S/c1-25-15-8-7-12(9-16(15)26-2)10-18-23-24-19(21-22-20(24)28-18)17-11-13-5-3-4-6-14(13)27-17/h3-9,11H,10H2,1-2H3InChIKey
ICHPNDHALCTTGM-UHFFFAOYSA-NSynonyms
3(1benzofuran2yl)6((34dimethoxyphenyl)methyl)(124)triazolo(34b)(134)thiadiazole
3(1benzofuran2yl)6(34dimethoxybenzyl)(124)triazolo(34b)(134)thiadiazole
COC1=C(C=C(C=C1)CC2=NN3C(=NN=C3S2)C4=CC5=CC=CC=C5O4)OC
InChI=1SC20H16N4O3Sc125158712(916(15)262)1018232419(212220(24)2818)171113534614(13)2717h3911H10H212H3
MFCD28987988
ZINC000096193843
ZINC96193843
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