Vitas-M small molecule compound
1-bromo-3-ethoxy-5-[(E)-2-nitroethenyl]-2-propoxybenzene
Catalog ID
STK362710
SMILES CCCOc1c(Br)cc(cc1OCC)/C=C/[N+](=O)[O-]
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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 C13H16BrNO4 MW 330.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16BrNO4/c1-3-7-19-13-11(14)8-10(5-6-15(16)17)9-12(13)18-4-2/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+InChIKey
APJMYWFBOOWKOW-AATRIKPKSA-NSynonyms
500018-44-01BROMO3ETHOXY5((E)2NITROETHENYL)2PROPOXYBENZENE
5((1E)2NITROVINYL)1BROMO3ETHOXY2PROPOXYBENZENE
500018440
CCCOC1=C(C=C(C=C1Br)C=C(N+)(=O)(O))OCC
CCCOc1c(Br)cc(cc1OCC)C=C(N+)(=O)(O)
InChI=1SC13H16BrNO4c137191311(14)810(5615(16)17)912(13)1842h5689H347H212H3b65+
MFCD03649610
ZINC000002029077
ZINC02029077
ZINC2029077
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