Vitas-M small molecule compound
3-(5-{(1E)-2-cyano-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-1-yl}furan-2-yl)benzoic acid
Catalog ID
STK090422
SMILES N#C/C(=C\c1ccc(o1)c1cccc(c1)C(=O)O)/C(=O)NCC1CCCO1
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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 C20H18N2O5 MW 366.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5/c21-11-15(19(23)22-12-17-5-2-8-26-17)10-16-6-7-18(27-16)13-3-1-4-14(9-13)20(24)25/h1,3-4,6-7,9-10,17H,2,5,8,12H2,(H,22,23)(H,24,25)/b15-10+InChIKey
JBUXZQQMDPGZLM-XNTDXEJSSA-NSynonyms
444100-36-13(5((1E)2CYANO3OXO3((TETRAHYDROFURAN2YLMETHYL)AMINO)PROP1EN1YL)FURAN2YL)BENZOICACID
3(5((E)2CYANO3OXO3(OXOLAN2YLMETHYLAMINO)PROP1ENYL)FURAN2YL)BENZOICACID
444100361
C1CC(OC1)CNC(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(=O)O)C#N
InChI=1SC20H18N2O5c211115(19(23)2212175282617)10166718(2716)1331414(913)20(24)25h1346791017H25812H2(H2223)(H2425)b1510+
MFCD02914838
N#CC(=Cc1ccc(o1)c1cccc(c1)C(=O)O)C(=O)NCC1CCCO1
STK090422
ZINC000002801110
ZINC000004525018
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