Vitas-M small molecule compound
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-1,2,3-triazol-5-ylsulfanyl)ethanone
Catalog ID
STK522273
SMILES O=C(c1ccc2c(c1)OCCO2)CSc1cnn[nH]1
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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 C12H11N3O3S MW 277.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3O3S/c16-9(7-19-12-6-13-15-14-12)8-1-2-10-11(5-8)18-4-3-17-10/h1-2,5-6H,3-4,7H2,(H,13,14,15)InChIKey
LHCSEROEGNNAEM-UHFFFAOYSA-NSynonyms
1(23dihydro14benzodioxin6yl)2(1H123triazol5ylsulfanyl)ethanone
1(23DIHYDRO14BENZODIOXIN6YL)2(2HTRIAZOL4YLSULFANYL)ETHANONE
1(2H3HBENZO(34E)14DIOXAN6YL)2(1H123TRIAZOL5YLTHIO)ETHAN1ONE
C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NNN=C3
InChI=1SC12H11N3O3Sc169(71912613151412)8121011(58)18431710h1256H347H2(H131415)
MFCD07402195
O=C(c1ccc2c(c1)OCCO2)CSc1cnn(nH)1
ZINC000004945303
ZINC04945303
ZINC4945303
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