Vitas-M small molecule compound
3-{2-[(1E)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK114015
SMILES N#C/C(=C\c1cccn1c1cccc(c1)C(=O)O)/C(=O)Nc1ccccc1
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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 C21H15N3O3 MW 357.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O3/c22-14-16(20(25)23-17-7-2-1-3-8-17)13-19-10-5-11-24(19)18-9-4-6-15(12-18)21(26)27/h1-13H,(H,23,25)(H,26,27)/b16-13+InChIKey
FTRWFSVVETZJKP-DTQAZKPQSA-NSynonyms
3(2((1E)2CYANO3OXO3(PHENYLAMINO)PROP1EN1YL)1HPYRROL1YL)BENZOICACID
3(2((E)3ANILINO2CYANO3OXOPROP1ENYL)PYRROL1YL)BENZOICACID
C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CN2C3=CC=CC(=C3)C(=O)O)C#N
InChI=1SC21H15N3O3c221416(20(25)23177213817)13191051124(19)1894615(1218)21(26)27h113H(H2325)(H2627)b1613+
MFCD04127673
ZINC000004675635
ZINC4675635
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