Vitas-M small molecule compound
2,6-dimethylphenyl 3-nitrobenzoate
Catalog ID
STK413360
SMILES O=C(c1cccc(c1)[N+](=O)[O-])Oc1c(C)cccc1C
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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 C15H13NO4 MW 271.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13NO4/c1-10-5-3-6-11(2)14(10)20-15(17)12-7-4-8-13(9-12)16(18)19/h3-9H,1-2H3InChIKey
NZBFEYPHGAVWNA-UHFFFAOYSA-NSynonyms
(26DIMETHYLPHENYL)3NITROBENZOATE
26dimethylphenyl3nitrobenzoate
CC1=C(C(=CC=C1)C)OC(=O)C2=CC(=CC=C2)(N+)(=O)(O)
InChI=1SC15H13NO4c11053611(2)14(10)2015(17)1274813(912)16(18)19h39H12H3
MFCD01076983
O=C(c1cccc(c1)(N+)(=O)(O))Oc1c(C)cccc1C
ZINC000000325539
ZINC00325539
ZINC325539
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