Vitas-M small molecule compound
(2Z)-3-[3-bromo-4-(prop-2-en-1-yloxy)phenyl]-2-cyano-N-(propan-2-yl)prop-2-enamide
Catalog ID
STK393867
SMILES C=CCOc1ccc(cc1Br)/C=C(\C(=O)NC(C)C)/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 C16H17BrN2O2 MW 349.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN2O2/c1-4-7-21-15-6-5-12(9-14(15)17)8-13(10-18)16(20)19-11(2)3/h4-6,8-9,11H,1,7H2,2-3H3,(H,19,20)/b13-8-InChIKey
KTEZAEFTWSMQKW-JYRVWZFOSA-NSynonyms
(2Z)3(3bromo4(prop2en1yloxy)phenyl)2cyanoN(propan2yl)prop2enamide
(Z)3(3bromo4prop2enoxyphenyl)2cyanoNpropan2ylprop2enamide
C=CCOc1ccc(cc1Br)C=C(C(=O)NC(C)C)C#N
CC(C)NC(=O)C(=CC1=CC(=C(C=C1)OCC=C)Br)C#N
InChI=1SC16H17BrN2O2c14721156512(914(15)17)813(1018)16(20)1911(2)3h468911H17H223H3(H1920)b138
MFCD02105174
ZINC000005633221
ZINC05633221
ZINC5633221
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