Vitas-M small molecule compound
1-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-one
Catalog ID
STK100425
SMILES CCCC(=O)c1cc2OCCOc2cc1[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 C12H13NO5 MW 251.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NO5/c1-2-3-10(14)8-6-11-12(18-5-4-17-11)7-9(8)13(15)16/h6-7H,2-5H2,1H3InChIKey
YYJIZJTYDLHGDD-UHFFFAOYSA-NSynonyms
361372-42-11(6NITRO23DIHYDRO14BENZODIOXIN7YL)BUTAN1ONE
1(7NITRO23DIHYDRO14BENZODIOXIN6YL)1BUTANONE
1(7NITRO23DIHYDRO14BENZODIOXIN6YL)BUTAN1ONE
1(7NITRO23DIHYDROBENZO(14)DIOXIN6YL)BUTAN1ONE
1(7NITRO2H3HBENZO(34E)14DIOXAN6YL)BUTAN1ONE
361372421
BUTAN1ONE1(23DIHYDRO7NITRO14BENZODIOXIN6YL)
CCCC(=O)C1=CC2=C(C=C1(N+)(=O)(O))OCCO2
CCCC(=O)c1cc2OCCOc2cc1(N+)(=O)(O)
InChI=1SC12H13NO5c12310(14)861112(18541711)79(8)13(15)16h67H25H21H3
MFCD02601795
ZINC000004537317
ZINC04537317
ZINC4537317
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