Vitas-M small molecule compound

1a-(4-nitrophenyl)-1a,2a,3,6,6a,7a-hexahydro-3,6-methanonaphtho[2,3-b]oxirene-2,7-dione

Catalog ID
STK948657
SMILES O=C1C2C3C=CC(C2C(=O)C2(C1O2)c1ccc(cc1)[N+](=O)[O-])C3

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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 C17H13NO5 MW 311.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13NO5/c19-14-12-8-1-2-9(7-8)13(12)15(20)17(16(14)23-17)10-3-5-11(6-4-10)18(21)22/h1-6,8-9,12-13,16H,7H2
InChIKey
NYGHMTVUQBCABQ-UHFFFAOYSA-N
Synonyms

1a(4nitrophenyl)1a2a366a7ahexahydro36methanonaphtho(23b)oxirene27dione
C1C2C=CC1C3C2C(=O)C4C(C3=O)(O4)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC17H13NO5c1914128129(78)13(12)15(20)17(16(14)2317)103511(6410)18(21)22h1689121316H7H2
MFCD07701548
O=C1C2C3C=CC(C2C(=O)C2(C1O2)c1ccc(cc1)(N+)(=O)(O))C3
ZINC000101277539
ZINC000101277545

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Available files

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