Vitas-M small molecule compound
ethyl 4-{5-[(1E)-2-cyano-3-(hexadecyloxy)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Catalog ID
STK529747
SMILES CCCCCCCCCCCCCCCCOC(=O)/C(=C/c1ccc(o1)c1ccc(cc1)C(=O)OCC)/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 C33H45NO5 MW 535.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H45NO5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-24-38-33(36)29(26-34)25-30-22-23-31(39-30)27-18-20-28(21-19-27)32(35)37-4-2/h18-23,25H,3-17,24H2,1-2H3/b29-25+InChIKey
YTGGDKPURAQLRO-XLVZBRSZSA-NSynonyms
300390-89-0(E)ethyl4(5(2cyano3(hexadecyloxy)3oxoprop1en1yl)furan2yl)benzoate
300390890
CCCCCCCCCCCCCCCCOC(=O)C(=CC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC)C#N
CCCCCCCCCCCCCCCCOC(=O)C(=Cc1ccc(o1)c1ccc(cc1)C(=O)OCC)C#N
ethyl4(5((1E)2cyano3(hexadecyloxy)3oxoprop1en1yl)furan2yl)benzoate
ETHYL4(5((E)2CYANO3HEXADECOXY3OXOPROP1ENYL)FURAN2YL)BENZOATE
InChI=1SC33H45NO5c13567891011121314151617243833(36)29(2634)2530222331(3930)27182028(211927)32(35)3742h182325H31724H212H3b2925+
MFCD01084576
ZINC000100668331
ZINC100668331
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