Vitas-M small molecule compound
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethanone
Catalog ID
STK273587
SMILES O=C(c1ccc2c(c1)OCCO2)Cn1cnc(n1)[N+](=O)[O-]
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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 C12H10N4O5 MW 290.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10N4O5/c17-9(6-15-7-13-12(14-15)16(18)19)8-1-2-10-11(5-8)21-4-3-20-10/h1-2,5,7H,3-4,6H2InChIKey
CZFRRNYDIAOUTQ-UHFFFAOYSA-NSynonyms
1(23DIHYDRO14BENZODIOXIN6YL)2(3(HYDROXY(OXIDO)AMINO)1H124TRIAZOL1YL)ETHANONE
1(23dihydro14benzodioxin6yl)2(3nitro124triazol1yl)ethanone
1(23dihydro14benzodioxin6yl)2(3nitro1H124triazol1yl)ethanone
C1COC2=C(O1)C=CC(=C2)C(=O)CN3C=NC(=N3)(N+)(=O)(O)
InChI=1SC12H10N4O5c179(61571312(1415)16(18)19)8121011(58)21432010h1257H346H2
MFCD09268150
O=C(c1ccc2c(c1)OCCO2)Cn1cnc(n1)(N+)(=O)(O)
ZINC000008295874
ZINC08295874
ZINC8295874
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