Vitas-M small molecule compound
1-oxo-1-phenylbutan-2-yl 4-bromo-3-nitrobenzoate
Catalog ID
STK388293
SMILES CCC(C(=O)c1ccccc1)OC(=O)c1ccc(c(c1)[N+](=O)[O-])Br
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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 C17H14BrNO5 MW 392.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14BrNO5/c1-2-15(16(20)11-6-4-3-5-7-11)24-17(21)12-8-9-13(18)14(10-12)19(22)23/h3-10,15H,2H2,1H3InChIKey
CIPDMYPQZKWAJR-UHFFFAOYSA-NSynonyms
432009-95-5(1OXO1PHENYLBUTAN2YL)4BROMO3NITROBENZOATE
(2R)1OXO1PHENYLBUTAN2YL4BROMO3NITROBENZOATE
1ETHYL2OXO2PHENYLETHYL4BROMO3NITROBENZOATE
1OXO1PHENYLBUTAN2YL4BROMO3NITROBENZOATE
432009955
CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)Br)(N+)(=O)(O)
CCC(C(=O)c1ccccc1)OC(=O)c1ccc(c(c1)(N+)(=O)(O))Br
InChI=1SC17H14BrNO5c1215(16(20)116435711)2417(21)128913(18)14(1012)19(22)23h31015H2H21H3
MFCD02828970
ZINC000001161365
ZINC000001161366
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