Vitas-M small molecule compound
2-{[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]amino}benzoic acid
Catalog ID
STL341300
SMILES N#C/C(=C/Nc1ccccc1C(=O)O)/C(=O)NCc1ccccc1
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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 C18H15N3O3 MW 321.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O3/c19-10-14(17(22)21-11-13-6-2-1-3-7-13)12-20-16-9-5-4-8-15(16)18(23)24/h1-9,12,20H,11H2,(H,21,22)(H,23,24)/b14-12-InChIKey
MBLLYIQHLFVRJW-OWBHPGMISA-NSynonyms
575471-05-5(Z)2((3(benzylamino)2cyano3oxoprop1en1yl)amino)benzoicacid
2(((1Z)3(benzylamino)2cyano3oxoprop1en1yl)amino)benzoicacid
2(((Z)3(BENZYLAMINO)2CYANO3OXOPROP1ENYL)AMINO)BENZOICACID
575471055
C1=CC=C(C=C1)CNC(=O)C(=CNC2=CC=CC=C2C(=O)O)C#N
InChI=1SC18H15N3O3c191014(17(22)2111136213713)122016954815(16)18(23)24h191220H11H2(H2122)(H2324)b1412
MFCD04026396
N#CC(=CNc1ccccc1C(=O)O)C(=O)NCc1ccccc1
ZINC000005048495
ZINC5048495
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