Vitas-M small molecule compound

1-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethanone

Catalog ID
STK662216
SMILES O=C(c1cc2OCCOc2cc1[N+](=O)[O-])Cc1ccccc1

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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 C16H13NO5 MW 299.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO5/c18-14(8-11-4-2-1-3-5-11)12-9-15-16(22-7-6-21-15)10-13(12)17(19)20/h1-5,9-10H,6-8H2
InChIKey
PSBGYMSEIAQPFO-UHFFFAOYSA-N
Synonyms
886493-96-5
1(6NITRO23DIHYDRO14BENZODIOXIN7YL)2PHENYLETHANONE
1(7nitro23dihydro14benzodioxin6yl)2phenylethanone
1(7NITRO23DIHYDROBENZO(14)DIOXIN6YL)2PHENYLETHANONE
886493965
C1COC2=C(O1)C=C(C(=C2)(N+)(=O)(O))C(=O)CC3=CC=CC=C3
InChI=1SC16H13NO5c1814(8114213511)1291516(22762115)1013(12)17(19)20h15910H68H2
MFCD06739625
O=C(c1cc2OCCOc2cc1(N+)(=O)(O))Cc1ccccc1
ZINC000004291021
ZINC04291021
ZINC4291021

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Available files

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