Vitas-M small molecule compound

but-2-yne-1,4-diyl bis(2-nitrobenzoate)

Catalog ID
STK544857
SMILES O=C(c1ccccc1[N+](=O)[O-])OCC#CCOC(=O)c1ccccc1[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 C18H12N2O8 MW 384.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N2O8/c21-17(13-7-1-3-9-15(13)19(23)24)27-11-5-6-12-28-18(22)14-8-2-4-10-16(14)20(25)26/h1-4,7-10H,11-12H2
InChIKey
GHZUHDZSYQZUSM-UHFFFAOYSA-N
Synonyms
136281-70-4
136281704
4(2NITROBENZOYL)OXYBUT2YNYL2NITROBENZOATE
but2yne14diylbis(2nitrobenzoate)
C1=CC=C(C(=C1)C(=O)OCC#CCOC(=O)C2=CC=CC=C2(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H12N2O8c2117(13713915(13)19(23)24)271156122818(22)148241016(14)20(25)26h14710H1112H2
MFCD00679485
O=C(c1ccccc1(N+)(=O)(O))OCC#CCOC(=O)c1ccccc1(N+)(=O)(O)
ZINC000001811412
ZINC01811412
ZINC1811412

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Available files

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