Vitas-M small molecule compound
4-tert-butylphenyl 2,4-dinitrobenzoate
Catalog ID
STK427699
SMILES O=C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])Oc1ccc(cc1)C(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/c1-17(2,3)11-4-7-13(8-5-11)25-16(20)14-9-6-12(18(21)22)10-15(14)19(23)24/h4-10H,1-3H3InChIKey
DOPIJUBMQDOCOF-UHFFFAOYSA-NSynonyms
(4TERTBUTYLPHENYL)24DINITROBENZOATE
24DINITROBENZOICACID4TERTBUTYLPHENYLESTER
4(TERTBUTYL)PHENYL24DINITROBENZOATE
4tertbutylphenyl24dinitrobenzoate
CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC17H16N2O6c117(23)114713(8511)2516(20)149612(18(21)22)1015(14)19(23)24h410H13H3
MFCD00813754
O=C(c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))Oc1ccc(cc1)C(C)(C)C
ZINC000004565445
ZINC04565445
ZINC4565445
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