Vitas-M small molecule compound
4-tert-butylphenyl 4-bromo-3-nitrobenzoate
Catalog ID
STK388473
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])Br)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 C17H16BrNO4 MW 378.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrNO4/c1-17(2,3)12-5-7-13(8-6-12)23-16(20)11-4-9-14(18)15(10-11)19(21)22/h4-10H,1-3H3InChIKey
PZQGJIUZHKAHPN-UHFFFAOYSA-NSynonyms
301657-86-3(4TERTBUTYLPHENYL)4BROMO3NITROBENZOATE
301657863
4(TERTBUTYL)PHENYL4BROMO3NITROBENZOATE
4BROMO3NITROBENZOICACID4TERTBUTYLPHENYLESTER
4tertbutylphenyl4bromo3nitrobenzoate
CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)Br)(N+)(=O)(O)
InChI=1SC17H16BrNO4c117(23)125713(8612)2316(20)114914(18)15(1011)19(21)22h410H13H3
MFCD00391923
O=C(c1ccc(c(c1)(N+)(=O)(O))Br)Oc1ccc(cc1)C(C)(C)C
ZINC000000851648
ZINC00851648
ZINC851648
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