Vitas-M small molecule compound

(4-nitrophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone

Catalog ID
STK060522
SMILES O=C(C12CN3CN(C2)CN(C1)C3)c1ccc(cc1)[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 C14H16N4O3 MW 288.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N4O3/c19-13(11-1-3-12(4-2-11)18(20)21)14-5-15-8-16(6-14)10-17(7-14)9-15/h1-4H,5-10H2
InChIKey
ZDBYQPUKIMCPAB-UHFFFAOYSA-N
Synonyms
149034-78-6
(1s3s5s)135triazaadamantan7yl(4nitrophenyl)methanone
(4nitrophenyl)(135triazatricyclo(3311~37~)dec7yl)methanone
149034786
C1C2(CN3CN1CN(C2)C3)C(=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC14H16N4O3c1913(111312(4211)18(20)21)14515816(614)1017(714)915h14H510H2
MFCD00411407
O=C(C12CN3CN(C2)CN(C1)C3)c1ccc(cc1)(N+)(=O)(O)
STK060522
ZINC000019312982
ZINC19312982

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.