Vitas-M small molecule compound
4-tert-butylphenyl 4-nitrobenzoate
Catalog ID
STK042846
SMILES O=C(c1ccc(cc1)[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 C17H17NO4 MW 299.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17NO4/c1-17(2,3)13-6-10-15(11-7-13)22-16(19)12-4-8-14(9-5-12)18(20)21/h4-11H,1-3H3InChIKey
TUGFWDWVBRVGMG-UHFFFAOYSA-NSynonyms
(4TERTBUTYLPHENYL)4NITROBENZOATE
4(TERTBUTYL)PHENYL4NITROBENZOATE
4TERTBUTYLPHENYL4NITROBENZOATE
CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC17H17NO4c117(23)1361015(11713)2216(19)124814(9512)18(20)21h411H13H3
MFCD00981806
O=C(c1ccc(cc1)(N+)(=O)(O))Oc1ccc(cc1)C(C)(C)C
PHENOLPTERTBUTYLPNITROBENZOATE
STK042846
ZINC000000038461
ZINC00038461
ZINC38461
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