Vitas-M small molecule compound
(2E)-3-[5-bromo-2-(prop-2-en-1-yloxy)phenyl]-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
Catalog ID
STK522803
SMILES C=CCOc1ccc(cc1/C=C(/C(=O)Nc1ccc(cc1OC)[N+](=O)[O-])\C#N)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 C20H16BrN3O5 MW 458.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN3O5/c1-3-8-29-18-7-4-15(21)10-13(18)9-14(12-22)20(25)23-17-6-5-16(24(26)27)11-19(17)28-2/h3-7,9-11H,1,8H2,2H3,(H,23,25)/b14-9+InChIKey
SDSQDVNCAATJBT-NTEUORMPSA-NSynonyms
(2E)3(5bromo2(prop2en1yloxy)phenyl)2cyanoN(2methoxy4nitrophenyl)prop2enamide
(E)3(5BROMO2PROP2ENOXYPHENYL)2CYANON(2METHOXY4NITROPHENYL)PROP2ENAMIDE
C=CCOc1ccc(cc1C=C(C(=O)Nc1ccc(cc1OC)(N+)(=O)(O))C#N)Br
COC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)C(=CC2=C(C=CC(=C2)Br)OCC=C)C#N
InChI=1SC20H16BrN3O5c13829187415(21)1013(18)914(1222)20(25)23176516(24(26)27)1119(17)282h37911H18H22H3(H2325)b149+
MFCD03155147
ZINC000009140012
ZINC09140012
ZINC9140012
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