Vitas-M small molecule compound
ethyl (2Z)-3-{2-bromo-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-cyanoprop-2-enoate
Catalog ID
STK101547
SMILES CCOC(=O)/C(=C\c1cc(OC)c(cc1Br)OCc1ccc(cc1)[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/c1-3-28-20(24)15(11-22)8-14-9-18(27-2)19(10-17(14)21)29-12-13-4-6-16(7-5-13)23(25)26/h4-10H,3,12H2,1-2H3/b15-8-InChIKey
NKZBTJLULCEFRV-NVNXTCNLSA-NSynonyms
CCOC(=O)C(=CC1=CC(=C(C=C1Br)OCC2=CC=C(C=C2)(N+)(=O)(O))OC)C#N
CCOC(=O)C(=Cc1cc(OC)c(cc1Br)OCc1ccc(cc1)(N+)(=O)(O))C#N
ETHYL(2Z)3(2BROMO5METHOXY4((4NITROBENZYL)OXY)PHENYL)2CYANOPROP2ENOATE
ETHYL(Z)3(2BROMO5METHOXY4((4NITROPHENYL)METHOXY)PHENYL)2CYANOPROP2ENOATE
InChI=1SC20H17BrN2O6c132820(24)15(1122)814918(272)19(1017(14)21)2912134616(7513)23(25)26h410H312H212H3b158
MFCD07546256
ZINC000009762422
ZINC09762422
ZINC9762422
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