Vitas-M small molecule compound

(2E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-cycloheptylprop-2-enamide

Catalog ID
STK454612
SMILES COc1cc(/C=C(/C(=O)NC2CCCCCC2)\C#N)c(cc1OC)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 C19H23BrN2O3 MW 407.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23BrN2O3/c1-24-17-10-13(16(20)11-18(17)25-2)9-14(12-21)19(23)22-15-7-5-3-4-6-8-15/h9-11,15H,3-8H2,1-2H3,(H,22,23)/b14-9+
InChIKey
IFHGXHUCCILKLO-NTEUORMPSA-N
Synonyms

(2E)3(2bromo45dimethoxyphenyl)2cyanoNcycloheptylprop2enamide
(E)3(2bromo45dimethoxyphenyl)2cyanoNcycloheptylprop2enamide
COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2CCCCCC2)Br)OC
COc1cc(C=C(C(=O)NC2CCCCCC2)C#N)c(cc1OC)Br
InChI=1SC19H23BrN2O3c124171013(16(20)1118(17)252)914(1221)19(23)221575346815h91115H38H212H3(H2223)b149+
MFCD09563945
ZINC000017087608
ZINC17087608

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Available files

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