Vitas-M small molecule compound
methyl 4-[(1E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-en-1-yl]benzoate
Catalog ID
STK401963
SMILES COC(=O)c1ccc(cc1)/C=C(/C(=O)NC1CCCC1)\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 C17H18N2O3 MW 298.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O3/c1-22-17(21)13-8-6-12(7-9-13)10-14(11-18)16(20)19-15-4-2-3-5-15/h6-10,15H,2-5H2,1H3,(H,19,20)/b14-10+InChIKey
CNNFNMRGNMJQKW-GXDHUFHOSA-NSynonyms
COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2CCCC2
COC(=O)c1ccc(cc1)C=C(C(=O)NC1CCCC1)C#N
InChI=1SC17H18N2O3c12217(21)138612(7913)1014(1118)16(20)1915423515h61015H25H21H3(H1920)b1410+
METHYL4((1E)2CYANO2(NCYCLOPENTYLCARBAMOYL)VINYL)BENZOATE
methyl4((1E)2cyano3(cyclopentylamino)3oxoprop1en1yl)benzoate
methyl4((E)2cyano3(cyclopentylamino)3oxoprop1enyl)benzoate
MFCD04244621
ZINC000007061279
ZINC07061279
ZINC7061279
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