Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Catalog ID
STL406114
SMILES CCN(C(=O)CSc1nnc(n1CC)c1ccc2c(c1)OCCCO2)CC
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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 C19H26N4O3S MW 390.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26N4O3S/c1-4-22(5-2)17(24)13-27-19-21-20-18(23(19)6-3)14-8-9-15-16(12-14)26-11-7-10-25-15/h8-9,12H,4-7,10-11,13H2,1-3H3InChIKey
PPWWNEJBBAEABM-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4ethyl124triazol3yl)sulfanyl)NNdiethylacetamide
2((5(34dihydro2H15benzodioxepin7yl)4ethyl4H124triazol3yl)sulfanyl)NNdiethylacetamide
CCN1C(=NN=C1SCC(=O)N(CC)CC)C2=CC3=C(C=C2)OCCCO3
InChI=1SC19H26N4O3Sc1422(52)17(24)132719212018(23(19)63)14891516(1214)26117102515h8912H47101113H213H3
MFCD27220687
ZINC000064986897
ZINC64986897
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