Vitas-M small molecule compound

1,1'-(2,3-dimethyl-6-nitro-2,3-dihydroquinoxaline-1,4-diyl)diethanone

Catalog ID
STK664822
SMILES CC(=O)N1C(C)C(C)N(c2c1cc(cc2)[N+](=O)[O-])C(=O)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 C14H17N3O4 MW 291.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N3O4/c1-8-9(2)16(11(4)19)14-7-12(17(20)21)5-6-13(14)15(8)10(3)18/h5-9H,1-4H3
InChIKey
PMTHDUKCVRFGKD-UHFFFAOYSA-N
Synonyms
899374-59-5
1(4ACETYL23DIMETHYL6NITRO23DIHYDROQUINOXALIN1YL)ETHANONE
11(23dimethyl6nitro23dihydroquinoxaline14diyl)diethanone
899374595
CC(=O)N1C(C)C(C)N(c2c1cc(cc2)(N+)(=O)(O))C(=O)C
CC1C(N(C2=C(N1C(=O)C)C=CC(=C2)(N+)(=O)(O))C(=O)C)C
InChI=1SC14H17N3O4c189(2)16(11(4)19)14712(17(20)21)5613(14)15(8)10(3)18h59H14H3
MFCD07022101
ZINC000004769758
ZINC000004769769

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Available files

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