Vitas-M small molecule compound
3-(4-tert-butylphenyl)-2,2-dimethylpropyl 4-nitrobenzoate
Catalog ID
STK018174
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])OCC(Cc1ccc(cc1)C(C)(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 C22H27NO4 MW 369.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO4/c1-21(2,3)18-10-6-16(7-11-18)14-22(4,5)15-27-20(24)17-8-12-19(13-9-17)23(25)26/h6-13H,14-15H2,1-5H3InChIKey
CUYKMZBMWZETKE-UHFFFAOYSA-NSynonyms
(3(4TERTBUTYLPHENYL)22DIMETHYLPROPYL)4NITROBENZOATE
3(4TERTBUTYLPHENYL)22DIMETHYLPROPYL4NITROBENZOATE
4NITROBENZOICACID3(4TERTBUTYLPHENYL)22DIMETHYLPROPYLESTER
CC(C)(C)C1=CC=C(C=C1)CC(C)(C)COC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC22H27NO4c121(23)1810616(71118)1422(45)152720(24)1781219(13917)23(25)26h613H1415H215H3
MFCD01017557
O=C(c1ccc(cc1)(N+)(=O)(O))OCC(Cc1ccc(cc1)C(C)(C)C)(C)C
STK018174
ZINC000004587752
ZINC04587752
ZINC4587752
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