Vitas-M small molecule compound
(2E)-3-[3-bromo-4-(dimethylamino)phenyl]-2-cyano-N-(thiophen-2-ylmethyl)prop-2-enamide
Catalog ID
STK088559
SMILES N#C/C(=C\c1ccc(c(c1)Br)N(C)C)/C(=O)NCc1cccs1
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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 C17H16BrN3OS MW 390.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrN3OS/c1-21(2)16-6-5-12(9-15(16)18)8-13(10-19)17(22)20-11-14-4-3-7-23-14/h3-9H,11H2,1-2H3,(H,20,22)/b13-8+InChIKey
ACEWBFAQBIXHPF-MDWZMJQESA-NSynonyms
(2E)3(3BROMO4(DIMETHYLAMINO)PHENYL)2CYANON(THIOPHEN2YLMETHYL)PROP2ENAMIDE
(E)3(3BROMO4(DIMETHYLAMINO)PHENYL)2CYANON(THIOPHEN2YLMETHYL)PROP2ENAMIDE
CN(C)C1=C(C=C(C=C1)C=C(C#N)C(=O)NCC2=CC=CS2)Br
InChI=1SC17H16BrN3OSc121(2)166512(915(16)18)813(1019)17(22)2011144372314h39H11H212H3(H2022)b138+
MFCD03249186
N#CC(=Cc1ccc(c(c1)Br)N(C)C)C(=O)NCc1cccs1
STK088559
ZINC000004663393
ZINC04663393
ZINC4663393
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