Vitas-M small molecule compound
3-(azepan-1-ylmethyl)-6-(3,4-dimethoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL086160
SMILES COc1cc(ccc1OC)Cc1nn2c(s1)nnc2CN1CCCCCC1
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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 C19H25N5O2S MW 387.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N5O2S/c1-25-15-8-7-14(11-16(15)26-2)12-18-22-24-17(20-21-19(24)27-18)13-23-9-5-3-4-6-10-23/h7-8,11H,3-6,9-10,12-13H2,1-2H3InChIKey
IDHFQSWARUKZKT-UHFFFAOYSA-NSynonyms
3(azepan1ylmethyl)6((34dimethoxyphenyl)methyl)(124)triazolo(34b)(134)thiadiazole
3(azepan1ylmethyl)6(34dimethoxybenzyl)(124)triazolo(34b)(134)thiadiazole
COC1=C(C=C(C=C1)CC2=NN3C(=NN=C3S2)CN4CCCCCC4)OC
InChI=1SC19H25N5O2Sc125158714(1116(15)262)1218222417(202119(24)2718)1323953461023h7811H369101213H212H3
MFCD18203609
ZINC000057524607
ZINC57524607
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