Vitas-M small molecule compound
4-bromo-5-methyl-2-(propan-2-yl)phenyl 4-nitrobenzoate
Catalog ID
STK023992
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])Oc1cc(C)c(cc1C(C)C)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 C17H16BrNO4 MW 378.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrNO4/c1-10(2)14-9-15(18)11(3)8-16(14)23-17(20)12-4-6-13(7-5-12)19(21)22/h4-10H,1-3H3InChIKey
SXLCWIVJGJEHEY-UHFFFAOYSA-NSynonyms
(4BROMO5METHYL2PROPAN2YLPHENYL)4NITROBENZOATE
4BROMO5METHYL2(METHYLETHYL)PHENYL4NITROBENZOATE
4BROMO5METHYL2(PROPAN2YL)PHENYL4NITROBENZOATE
CC1=CC(=C(C=C1Br)C(C)C)OC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC17H16BrNO4c110(2)14915(18)11(3)816(14)2317(20)124613(7512)19(21)22h410H13H3
MFCD02857241
O=C(c1ccc(cc1)(N+)(=O)(O))Oc1cc(C)c(cc1C(C)C)Br
STK023992
ZINC000005679171
ZINC05679171
ZINC5679171
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