Vitas-M small molecule compound

1-(1,3-dinitropropan-2-yl)-2-ethyl-3,4-dimethoxybenzene

Catalog ID
STL406271
SMILES CCc1c(ccc(c1OC)OC)C(C[N+](=O)[O-])C[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 C13H18N2O6 MW 298.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N2O6/c1-4-10-11(5-6-12(20-2)13(10)21-3)9(7-14(16)17)8-15(18)19/h5-6,9H,4,7-8H2,1-3H3
InChIKey
DUGAXRBJJSIOFD-UHFFFAOYSA-N
Synonyms
329267-61-0
1(13dinitropropan2yl)2ethyl34dimethoxybenzene
2ETHYL34DIMETHOXY1(2NITRO1(NITROMETHYL)ETHYL)BENZENE
329267610
CCC1=C(C=CC(=C1OC)OC)C(C(N+)(=O)(O))C(N+)(=O)(O)
CCc1c(ccc(c1OC)OC)C(C(N+)(=O)(O))C(N+)(=O)(O)
InChI=1SC13H18N2O6c141011(5612(202)13(10)213)9(714(16)17)815(18)19h569H478H213H3
MFCD02709660
ZINC000003199840
ZINC03199840
ZINC3199840

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Available files

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