Vitas-M small molecule compound
ethyl 4-({[({5-[(1Z)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}methyl)amino](oxo)acetyl}amino)benzoate
Catalog ID
STL382267
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C(=O)NCc1ccc(o1)/C=C(\C(=O)N)/C#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 C20H18N4O6 MW 410.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O6/c1-2-29-20(28)12-3-5-14(6-4-12)24-19(27)18(26)23-11-16-8-7-15(30-16)9-13(10-21)17(22)25/h3-9H,2,11H2,1H3,(H2,22,25)(H,23,26)(H,24,27)/b13-9-InChIKey
AVLIFHPBIUVYRN-LCYFTJDESA-NSynonyms
4((5(2CARBAMOYL2CYANOVINYL)FURAN2YLMETHYL)AMINOOXALYL)AMINO)BENZOIC
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC=C(O2)C=C(C#N)C(=O)N
CCOC(=O)c1ccc(cc1)NC(=O)C(=O)NCc1ccc(o1)C=C(C(=O)N)C#N
ethyl4(((((5((1Z)3amino2cyano3oxoprop1en1yl)furan2yl)methyl)amino)(oxo)acetyl)amino)benzoate
ETHYL4((2((5((Z)3AMINO2CYANO3OXOPROP1ENYL)FURAN2YL)METHYLAMINO)2OXOACETYL)AMINO)BENZOATE
InChI=1SC20H18N4O6c122920(28)123514(6412)2419(27)18(26)2311168715(3016)913(1021)17(22)25h39H211H21H3(H22225)(H2326)(H2427)b139
MFCD02232983
ZINC000005007933
ZINC05007933
ZINC5007933
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