Vitas-M small molecule compound
2-{5-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dien-1-yl]furan-2-yl}-5-bromobenzoic acid
Catalog ID
STK121986
SMILES N#C/C(=C\c1ccc(o1)c1ccc(cc1C(=O)O)Br)/C(=C(C#N)C#N)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 C18H9BrN4O3 MW 409.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H9BrN4O3/c19-12-1-3-14(15(6-12)18(24)25)16-4-2-13(26-16)5-10(7-20)17(23)11(8-21)9-22/h1-6H,23H2,(H,24,25)/b10-5+InChIKey
QEZJVWBHZOBALV-BJMVGYQFSA-NSynonyms
2(5((1Z)3AMINO244TRICYANOBUTA13DIEN1YL)FURAN2YL)5BROMOBENZOICACID
2(5((1Z)3AMINO244TRICYANOBUTA13DIENYL)FURAN2YL)5BROMOBENZOICACID
C1=CC(=C(C=C1Br)C(=O)O)C2=CC=C(O2)C=C(C#N)C(=C(C#N)C#N)N
InChI=1SC18H9BrN4O3c19121314(15(612)18(24)25)164213(2616)510(720)17(23)11(821)922h16H23H2(H2425)b105+
MFCD03926974
N#CC(=Cc1ccc(o1)c1ccc(cc1C(=O)O)Br)C(=C(C#N)C#N)N
ZINC000097959752
ZINC97959752
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