Vitas-M small molecule compound
ethyl (2E)-3-{2-[2-(4-bromophenoxy)ethoxy]-5-nitrophenyl}-2-cyanoprop-2-enoate
Catalog ID
STK211710
SMILES CCOC(=O)/C(=C/c1cc(ccc1OCCOc1ccc(cc1)Br)[N+](=O)[O-])/C#N
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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 C20H17BrN2O6 MW 461.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O6/c1-2-27-20(24)15(13-22)11-14-12-17(23(25)26)5-8-19(14)29-10-9-28-18-6-3-16(21)4-7-18/h3-8,11-12H,2,9-10H2,1H3/b15-11+InChIKey
CASGBURUWOURJP-RVDMUPIBSA-NSynonyms
CCOC(=O)C(=CC1=C(C=CC(=C1)(N+)(=O)(O))OCCOC2=CC=C(C=C2)Br)C#N
CCOC(=O)C(=Cc1cc(ccc1OCCOc1ccc(cc1)Br)(N+)(=O)(O))C#N
ETHYL(2E)3(2(2(4BROMOPHENOXY)ETHOXY)5NITROPHENYL)2CYANOPROP2ENOATE
ethyl(E)3(2(2(4bromophenoxy)ethoxy)5nitrophenyl)2cyanoprop2enoate
InChI=1SC20H17BrN2O6c122720(24)15(1322)11141217(23(25)26)5819(14)2910928186316(21)4718h381112H2910H21H3b1511+
MFCD02205306
ZINC000010076835
ZINC10076835
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