Vitas-M small molecule compound
2-({(2E)-2-cyano-3-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)benzoic acid
Catalog ID
STK016450
SMILES N#C/C(=C\c1ccc(o1)c1ccc(cc1[N+](=O)[O-])OC)/C(=O)Nc1ccccc1C(=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 C22H15N3O7 MW 433.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15N3O7/c1-31-14-6-8-17(19(11-14)25(29)30)20-9-7-15(32-20)10-13(12-23)21(26)24-18-5-3-2-4-16(18)22(27)28/h2-11H,1H3,(H,24,26)(H,27,28)/b13-10+InChIKey
GWEOSOOVZVKYKE-JLHYYAGUSA-NSynonyms
345241-61-42(((2E)2CYANO3(5(4METHOXY2NITROPHENYL)FURAN2YL)PROP2ENOYL)AMINO)BENZOICACID
2(((E)2CYANO3(5(4METHOXY2NITROPHENYL)FURAN2YL)PROP2ENOYL)AMINO)BENZOICACID
345241614
COC1=CC(=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)O)(N+)(=O)(O)
InChI=1SC22H15N3O7c131146817(19(1114)25(29)30)209715(3220)1013(1223)21(26)2418532416(18)22(27)28h211H1H3(H2426)(H2728)b1310+
MFCD02373895
N#CC(=Cc1ccc(o1)c1ccc(cc1(N+)(=O)(O))OC)C(=O)Nc1ccccc1C(=O)O
STK016450
ZINC000002774041
ZINC2774041
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