Vitas-M small molecule compound
1-bromo-3-methoxy-2-[(4-methylbenzyl)oxy]-5-[(E)-2-nitroethenyl]benzene
Catalog ID
STL417500
SMILES COc1cc(/C=C/[N+](=O)[O-])cc(c1OCc1ccc(cc1)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/c1-12-3-5-13(6-4-12)11-23-17-15(18)9-14(7-8-19(20)21)10-16(17)22-2/h3-10H,11H2,1-2H3/b8-7+InChIKey
WXCVDRRPMUXUKB-BQYQJAHWSA-NSynonyms
1bromo3methoxy2((4methylbenzyl)oxy)5((E)2nitroethenyl)benzene
1BROMO3METHOXY2((4METHYLPHENYL)METHOXY)5((E)2NITROETHENYL)BENZENE
CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C=C(N+)(=O)(O))OC
COc1cc(C=C(N+)(=O)(O))cc(c1OCc1ccc(cc1)C)Br
InChI=1SC17H16BrNO4c1123513(6412)11231715(18)914(7819(20)21)1016(17)222h310H11H212H3b87+
MFCD06622134
ZINC000001073244
ZINC01073244
ZINC1073244
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