Vitas-M small molecule compound
azepan-1-yl[6-(4-ethoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]methanone
Catalog ID
STL381356
SMILES CCOc1ccc(cc1)C1Nn2c(C)nnc2SC1C(=O)N1CCCCCC1
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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 C20H27N5O2S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N5O2S/c1-3-27-16-10-8-15(9-11-16)17-18(19(26)24-12-6-4-5-7-13-24)28-20-22-21-14(2)25(20)23-17/h8-11,17-18,23H,3-7,12-13H2,1-2H3InChIKey
IJCUGNBVKCFMJU-UHFFFAOYSA-NSynonyms
azepan1yl(6(4ethoxyphenyl)3methyl67dihydro5H(124)triazolo(34b)(134)thiadiazin7yl)methanone
CCOC1=CC=C(C=C1)C2C(SC3=NN=C(N3N2)C)C(=O)N4CCCCCC4
InChI=1SC20H27N5O2Sc13271610815(91116)1718(19(26)241264571324)2820222114(2)25(20)2317h811171823H371213H212H3
MFCD07433455
ZINC000020068843
ZINC000020068850
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