Vitas-M small molecule compound

6-(3,4-dimethoxybenzyl)-3-[(4-fluorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STK242379
SMILES COc1cc(ccc1OC)Cc1nn2c(s1)nnc2COc1ccc(cc1)F

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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 C19H17FN4O3S MW 400.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17FN4O3S/c1-25-15-8-3-12(9-16(15)26-2)10-18-23-24-17(21-22-19(24)28-18)11-27-14-6-4-13(20)5-7-14/h3-9H,10-11H2,1-2H3
InChIKey
PBCHZFUBQBMVSC-UHFFFAOYSA-N
Synonyms

6((34dimethoxyphenyl)methyl)3((4fluorophenoxy)methyl)(124)triazolo(34b)(134)thiadiazole
6(34dimethoxybenzyl)3((4fluorophenoxy)methyl)(124)triazolo(34b)(134)thiadiazole
COC1=C(C=C(C=C1)CC2=NN3C(=NN=C3S2)COC4=CC=C(C=C4)F)OC
InChI=1SC19H17FN4O3Sc125158312(916(15)262)1018232417(212219(24)2818)1127146413(20)5714h39H1011H212H3
MFCD08684112
ZINC000008393384
ZINC08393384
ZINC8393384

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.