Vitas-M small molecule compound
(2Z)-4-[4-(6-bromo-4-phenylquinazolin-2-yl)piperazin-4-ium-1-yl]-4-oxobut-2-enoate
Catalog ID
STK560501
SMILES [O-]C(=O)/C=C\C(=O)N1CC[NH+](CC1)c1nc2ccc(cc2c(n1)c1ccccc1)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 C22H19BrN4O3 MW 467.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN4O3/c23-16-6-7-18-17(14-16)21(15-4-2-1-3-5-15)25-22(24-18)27-12-10-26(11-13-27)19(28)8-9-20(29)30/h1-9,14H,10-13H2,(H,29,30)/b9-8-InChIKey
NIMDZQMFRBMHIH-HJWRWDBZSA-NSynonyms
412920-04-8(2Z)4(4(6bromo4phenylquinazolin2yl)piperazin4ium1yl)4oxobut2enoate
(O)C(=O)C=CC(=O)N1CC(NH+)(CC1)c1nc2ccc(cc2c(n1)c1ccccc1)Br
(Z)4(4(6BROMO4PHENYLQUINAZOLIN2YL)PIPERAZIN1YL)4OXOBUT2ENOICACID
412920048
C1CN(CCN1C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4)C(=O)C=CC(=O)O
InChI=1SC22H19BrN4O3c2316671817(1416)21(154213515)2522(2418)27121026(111327)19(28)8920(29)30h1914H1013H2(H2930)b98
MFCD02735592
ZINC000013596917
ZINC13596917
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