Vitas-M small molecule compound
2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,6-dimethylpiperidin-1-yl)ethanone
Catalog ID
STK279356
SMILES CCn1c(SCC(=O)N2C(C)CCCC2C)nnc1c1ccc2c(c1)OCCO2
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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 C21H28N4O3S MW 416.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O3S/c1-4-24-20(16-8-9-17-18(12-16)28-11-10-27-17)22-23-21(24)29-13-19(26)25-14(2)6-5-7-15(25)3/h8-9,12,14-15H,4-7,10-11,13H2,1-3H3InChIKey
WTIWKWTXNZGASE-UHFFFAOYSA-NSynonyms
2((5(23dihydro14benzodioxin6yl)4ethyl124triazol3yl)sulfanyl)1(26dimethylpiperidin1yl)ethanone
2((5(23DIHYDRO14BENZODIOXIN6YL)4ETHYL4H124TRIAZOL3YL)SULFANYL)1(26DIMETHYLPIPERIDIN1YL)ETHANONE
CCN1C(=NN=C1SCC(=O)N2C(CCCC2C)C)C3=CC4=C(C=C3)OCCO4
InChI=1SC21H28N4O3Sc142420(16891718(1216)2811102717)222321(24)291319(26)2514(2)65715(25)3h89121415H47101113H213H3
MFCD09269794
ZINC000009193253
ZINC000018084380
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