Vitas-M small molecule compound
3-(azepan-1-ylmethyl)-6-(2,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL145821
SMILES COc1cc(OC)ccc1c1nn2c(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 C18H23N5O2S MW 373.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N5O2S/c1-24-13-7-8-14(15(11-13)25-2)17-21-23-16(19-20-18(23)26-17)12-22-9-5-3-4-6-10-22/h7-8,11H,3-6,9-10,12H2,1-2H3InChIKey
OCKIYIPOFBHXMQ-UHFFFAOYSA-NSynonyms
1246060-61-61246060616
3(1AZEPANYLMETHYL)6(24DIMETHOXYPHENYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
3(azepan1ylmethyl)6(24dimethoxyphenyl)(124)triazolo(34b)(134)thiadiazole
COC1=CC(=C(C=C1)C2=NN3C(=NN=C3S2)CN4CCCCCC4)OC
InChI=1SC18H23N5O2Sc124137814(15(1113)252)17212316(192018(23)2617)1222953461022h7811H3691012H212H3
MFCD18069961
ZINC000049550281
ZINC49550281
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