Vitas-M small molecule compound
1-(azepan-1-yl)-2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK279367
SMILES CCn1c(SCC(=O)N2CCCCCC2)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 C20H26N4O3S MW 402.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O3S/c1-2-24-19(15-7-8-16-17(13-15)27-12-11-26-16)21-22-20(24)28-14-18(25)23-9-5-3-4-6-10-23/h7-8,13H,2-6,9-12,14H2,1H3InChIKey
GEUJQEHAUXGMPI-UHFFFAOYSA-NSynonyms
1(azepan1yl)2((5(23dihydro14benzodioxin6yl)4ethyl124triazol3yl)sulfanyl)ethanone
1(AZEPAN1YL)2((5(23DIHYDRO14BENZODIOXIN6YL)4ETHYL4H124TRIAZOL3YL)SULFANYL)ETHANONE
CCN1C(=NN=C1SCC(=O)N2CCCCCC2)C3=CC4=C(C=C3)OCCO4
InChI=1SC20H26N4O3Sc122419(15781617(1315)2712112616)212220(24)281418(25)23953461023h7813H2691214H21H3
MFCD09269805
ZINC000009193266
ZINC09193266
ZINC9193266
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