Vitas-M small molecule compound
4-{(E)-2-[3-bromo-4-(dimethylamino)phenyl]-1-cyanoethenyl}benzoic acid
Catalog ID
STL387449
SMILES N#C/C(=C/c1ccc(c(c1)Br)N(C)C)/c1ccc(cc1)C(=O)O
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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 C18H15BrN2O2 MW 371.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrN2O2/c1-21(2)17-8-3-12(10-16(17)19)9-15(11-20)13-4-6-14(7-5-13)18(22)23/h3-10H,1-2H3,(H,22,23)/b15-9-InChIKey
QVZWZBLLWBBJMQ-DHDCSXOGSA-NSynonyms
4((E)2(3bromo4(dimethylamino)phenyl)1cyanoethenyl)benzoicacid
CN(C)C1=C(C=C(C=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Br
InChI=1SC18H15BrN2O2c121(2)178312(1016(17)19)915(1120)134614(7513)18(22)23h310H12H3(H2223)b159
MFCD28951136
N#CC(=Cc1ccc(c(c1)Br)N(C)C)c1ccc(cc1)C(=O)O
ZINC000096504824
ZINC96504824
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