Vitas-M small molecule compound

6-(1-benzofuran-2-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STK646066
SMILES COc1cc(ccc1OC)CCc1nnc2n1nc(s2)c1cc2c(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 C21H18N4O3S MW 406.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S/c1-26-16-9-7-13(11-17(16)27-2)8-10-19-22-23-21-25(19)24-20(29-21)18-12-14-5-3-4-6-15(14)28-18/h3-7,9,11-12H,8,10H2,1-2H3
InChIKey
GGCOKYGADJGDKL-UHFFFAOYSA-N
Synonyms
951960-95-5
6(1benzofuran2yl)3(2(34dimethoxyphenyl)ethyl)(124)triazolo(34b)(134)thiadiazole
6(benzofuran2yl)3(34dimethoxyphenethyl)(124)triazolo(34b)(134)thiadiazole
951960955
COC1=C(C=C(C=C1)CCC2=NN=C3N2N=C(S3)C4=CC5=CC=CC=C5O4)OC
InChI=1SC21H18N4O3Sc126169713(1117(16)272)8101922232125(19)2420(2921)181214534615(14)2818h3791112H810H212H3
MFCD09859053
ZINC000013736463
ZINC13736463

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Available files

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