Vitas-M small molecule compound
ethyl 4-{5-[(1Z)-3-(tert-butylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Catalog ID
STL320766
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(\C(=O)NC(C)(C)C)/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 C21H22N2O4 MW 366.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4/c1-5-26-20(25)15-8-6-14(7-9-15)18-11-10-17(27-18)12-16(13-22)19(24)23-21(2,3)4/h6-12H,5H2,1-4H3,(H,23,24)/b16-12-InChIKey
ICXMYQCRCKTNES-VBKFSLOCSA-NSynonyms
313520-69-3(Z)ethyl4(5(3(tertbutylamino)2cyano3oxoprop1en1yl)furan2yl)benzoate
313520693
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC(C)(C)C
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C(C(=O)NC(C)(C)C)C#N
ethyl4(5((1Z)3(tertbutylamino)2cyano3oxoprop1en1yl)furan2yl)benzoate
ETHYL4(5((Z)3(TERTBUTYLAMINO)2CYANO3OXOPROP1ENYL)FURAN2YL)BENZOATE
InChI=1SC21H22N2O4c152620(25)158614(7915)18111017(2718)1216(1322)19(24)2321(23)4h612H5H214H3(H2324)b1612
MFCD01550251
ZINC000031829085
ZINC31829085
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