Vitas-M small molecule compound

10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl(3,5-dinitrophenyl)methanone

Catalog ID
STK006820
SMILES O=C(N1c2ccccc2CCc2c1cccc2)c1cc(cc(c1)[N+](=O)[O-])[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 C21H15N3O5 MW 389.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O5/c25-21(16-11-17(23(26)27)13-18(12-16)24(28)29)22-19-7-3-1-5-14(19)9-10-15-6-2-4-8-20(15)22/h1-8,11-13H,9-10H2
InChIKey
NIWMZWLLZRKWHW-UHFFFAOYSA-N
Synonyms
331840-94-9
(1011dihydro5Hdibenzo(bf)azepin5yl)(35dinitrophenyl)methanone
1011dihydro5Hdibenzo(bf)azepin5yl(35dinitrophenyl)methanone
10H11HDIBENZO(BF)AZEPIN5YL35DINITROPHENYLKETONE
331840949
56DIHYDROBENZO(B)(1)BENZAZEPIN11YL(35DINITROPHENYL)METHANONE
C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)C4=CC(=CC(=C4)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC21H15N3O5c2521(161117(23(26)27)1318(1216)24(28)29)2219731514(19)91015624820(15)22h181113H910H2
MFCD01051554
O=C(N1c2ccccc2CCc2c1cccc2)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
STK006820
ZINC000001307255
ZINC01307255
ZINC1307255

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Available files

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