Vitas-M small molecule compound

2-(4-nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate

Catalog ID
STK388742
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])COC(=O)c1cc(cc(c1)C(C)(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 C23H27NO5 MW 397.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO5/c1-22(2,3)17-11-16(12-18(13-17)23(4,5)6)21(26)29-14-20(25)15-7-9-19(10-8-15)24(27)28/h7-13H,14H2,1-6H3
InChIKey
VGVNXVJDVALOAT-UHFFFAOYSA-N
Synonyms
305858-35-9
(2(4NITROPHENYL)2OXOETHYL)35DITERTBUTYLBENZOATE
2(4NITROPHENYL)2OXOETHYL35BIS(TERTBUTYL)BENZOATE
2(4nitrophenyl)2oxoethyl35ditertbutylbenzoate
305858359
35DITERTBUTYLBENZOICACID2(4NITROPHENYL)2OXOETHYLESTER
CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)(N+)(=O)(O))C(C)(C)C
InChI=1SC23H27NO5c122(23)171116(1218(1317)23(45)6)21(26)291420(25)157919(10815)24(27)28h713H14H216H3
MFCD00339904
O=C(c1ccc(cc1)(N+)(=O)(O))COC(=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C
ZINC000002752816
ZINC02752816
ZINC2752816

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Available files

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