Vitas-M small molecule compound
(2E)-3-{2-bromo-5-ethoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-cyano-N,N-dimethylprop-2-enamide
Catalog ID
STK180319
SMILES CCOc1cc(/C=C(/C(=O)N(C)C)\C#N)c(cc1OCc1ccc(cc1)[N+](=O)[O-])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 C21H20BrN3O5 MW 474.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN3O5/c1-4-29-19-10-15(9-16(12-23)21(26)24(2)3)18(22)11-20(19)30-13-14-5-7-17(8-6-14)25(27)28/h5-11H,4,13H2,1-3H3/b16-9+InChIKey
XZMKSBMZXAXJLY-CXUHLZMHSA-NSynonyms
(2E)3(2BROMO5ETHOXY4((4NITROBENZYL)OXY)PHENYL)2CYANONNDIMETHYLPROP2ENAMIDE
(E)3(2BROMO5ETHOXY4((4NITROPHENYL)METHOXY)PHENYL)2CYANONNDIMETHYLPROP2ENAMIDE
CCOC1=C(C=C(C(=C1)C=C(C#N)C(=O)N(C)C)Br)OCC2=CC=C(C=C2)(N+)(=O)(O)
CCOc1cc(C=C(C(=O)N(C)C)C#N)c(cc1OCc1ccc(cc1)(N+)(=O)(O))Br
InChI=1SC21H20BrN3O5c1429191015(916(1223)21(26)24(2)3)18(22)1120(19)3013145717(8614)25(27)28h511H413H213H3b169+
MFCD06253199
ZINC000001106462
ZINC01106462
ZINC1106462
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