Vitas-M small molecule compound

4,4-dimethyl-2-(3-nitrophenyl)-1,4-dihydro-2H-3,1-benzoxazine

Catalog ID
STK770239
SMILES [O-][N+](=O)c1cccc(c1)C1Nc2ccccc2C(O1)(C)C

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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 C16H16N2O3 MW 284.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O3/c1-16(2)13-8-3-4-9-14(13)17-15(21-16)11-6-5-7-12(10-11)18(19)20/h3-10,15,17H,1-2H3
InChIKey
JRTALLWKVCDUAQ-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cccc(c1)C1Nc2ccccc2C(O1)(C)C
44DIMETHYL2(3NITROPHENYL)12DIHYDRO31BENZOXAZINE
44dimethyl2(3nitrophenyl)14dihydro2H31benzoxazine
44DIMETHYL2(3NITROPHENYL)1H2HBENZO(D)13OXAZINE
CC1(C2=CC=CC=C2NC(O1)C3=CC(=CC=C3)(N+)(=O)(O))C
InChI=1SC16H16N2O3c116(2)13834914(13)1715(2116)1165712(1011)18(19)20h3101517H12H3
MFCD03764320
ZINC000000098183
ZINC000000098186

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Available files

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