Vitas-M small molecule compound

2-(4-methylphenyl)-2-oxoethyl 2-methyl-3,5-dinitrobenzoate

Catalog ID
STK388212
SMILES Cc1ccc(cc1)C(=O)COC(=O)c1cc(cc(c1C)[N+](=O)[O-])[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 C17H14N2O7 MW 358.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O7/c1-10-3-5-12(6-4-10)16(20)9-26-17(21)14-7-13(18(22)23)8-15(11(14)2)19(24)25/h3-8H,9H2,1-2H3
InChIKey
XUFGFSYOLJULOS-UHFFFAOYSA-N
Synonyms
438541-35-6
(2(4METHYLPHENYL)2OXOETHYL)2METHYL35DINITROBENZOATE
2(4METHYLPHENYL)2OXOETHYL2METHYL35DINITROBENZOATE
2(4METHYLPHENYL)2OXOETHYL35BISNITRO2METHYLBENZOATE
438541356
CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC(=C2C)(N+)(=O)(O))(N+)(=O)(O)
Cc1ccc(cc1)C(=O)COC(=O)c1cc(cc(c1C)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC17H14N2O7c1103512(6410)16(20)92617(21)14713(18(22)23)815(11(14)2)19(24)25h38H9H212H3
MFCD00502372
ZINC000001313705
ZINC01313705
ZINC1313705

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Available files

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