Vitas-M small molecule compound
2,4-di-tert-butylphenyl 2-nitrobenzoate
Catalog ID
STL063042
SMILES O=C(c1ccccc1[N+](=O)[O-])Oc1ccc(cc1C(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 C21H25NO4 MW 355.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4/c1-20(2,3)14-11-12-18(16(13-14)21(4,5)6)26-19(23)15-9-7-8-10-17(15)22(24)25/h7-13H,1-6H3InChIKey
CINWEJXQVFSFEM-UHFFFAOYSA-NSynonyms
(24DITERTBUTYLPHENYL)2NITROBENZOATE
24BIS(TERTBUTYL)PHENYL2NITROBENZOATE
24ditertbutylphenyl2nitrobenzoate
CC(C)(C)C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2(N+)(=O)(O))C(C)(C)C
InChI=1SC21H25NO4c120(23)14111218(16(1314)21(45)6)2619(23)159781017(15)22(24)25h713H16H3
MFCD03904951
O=C(c1ccccc1(N+)(=O)(O))Oc1ccc(cc1C(C)(C)C)C(C)(C)C
ZINC000006882995
ZINC06882995
ZINC6882995
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