Vitas-M small molecule compound

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

Catalog ID
STK109413
SMILES Cc1ccc(cc1)C(=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 C16H13NO5 MW 299.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO5/c1-10-2-4-11(5-3-10)16(18)12-8-14-15(22-7-6-21-14)9-13(12)17(19)20/h2-5,8-9H,6-7H2,1H3
InChIKey
VZVMYCSPUZTLRD-UHFFFAOYSA-N
Synonyms
634172-65-9
(4METHYLPHENYL)(6NITRO23DIHYDRO14BENZODIOXIN7YL)METHANONE
(4METHYLPHENYL)(7NITRO23DIHYDRO14BENZODIOXIN6YL)METHANONE
(7NITRO23DIHYDROBENZO(14)DIOXIN6YL)PTOLYLMETHANONE
634172659
CC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2(N+)(=O)(O))OCCO3
Cc1ccc(cc1)C(=O)c1cc2OCCOc2cc1(N+)(=O)(O)
InChI=1SC16H13NO5c1102411(5310)16(18)1281415(22762114)913(12)17(19)20h2589H67H21H3
MFCD03820191
ZINC000002504079
ZINC02504079
ZINC2504079

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Available files

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