Vitas-M small molecule compound

12-nitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine

Catalog ID
STL089779
SMILES [O-][N+](=O)c1ccc2c(c1)OCCOCCOCCO2

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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 C12H15NO6 MW 269.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15NO6/c14-13(15)10-1-2-11-12(9-10)19-8-6-17-4-3-16-5-7-18-11/h1-2,9H,3-8H2
InChIKey
UUQRTEFANVWPTD-UHFFFAOYSA-N
Synonyms
78554-67-3
(O)(N+)(=O)c1ccc2c(c1)OCCOCCOCCO2
12nitro235689hexahydro14710benzotetraoxacyclododecine
14nitro25811tetraoxabicyclo(1040)hexadeca1(12)1315triene
4NITROBENZO12CROWN4
78554673
C1COCCOC2=C(C=CC(=C2)(N+)(=O)(O))OCCO1
InChI=1SC12H15NO6c1413(15)10121112(910)1986174316571811h129H38H2
MFCD00205001
ZINC000000074721
ZINC00074721
ZINC74721

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Available files

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