Vitas-M small molecule compound

5-methyl-2-(propan-2-yl)phenyl 2,4-dinitrobenzoate

Catalog ID
STK388523
SMILES Cc1ccc(c(c1)OC(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(C)C

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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 C17H16N2O6 MW 344.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O6/c1-10(2)13-6-4-11(3)8-16(13)25-17(20)14-7-5-12(18(21)22)9-15(14)19(23)24/h4-10H,1-3H3
InChIKey
BDIBREWXUIABSR-UHFFFAOYSA-N
Synonyms
301208-97-9
(5METHYL2PROPAN2YLPHENYL)24DINITROBENZOATE
24DINITROBENZOICACID2ISOPROPYL5METHYLPHENYLESTER
301208979
5METHYL2(METHYLETHYL)PHENYL24DINITROBENZOATE
5methyl2(propan2yl)phenyl24dinitrobenzoate
CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O)
Cc1ccc(c(c1)OC(=O)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C(C)C
InChI=1SC17H16N2O6c110(2)136411(3)816(13)2517(20)147512(18(21)22)915(14)19(23)24h410H13H3
MFCD00381987
ZINC000002742661
ZINC02742661
ZINC2742661

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Available files

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