Vitas-M small molecule compound
decyl 4-{5-[(1E)-2-cyano-3-(decyloxy)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Catalog ID
STL055802
SMILES CCCCCCCCCCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C(/C(=O)OCCCCCCCCCC)\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 C35H49NO5 MW 563.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H49NO5/c1-3-5-7-9-11-13-15-17-25-39-34(37)30-21-19-29(20-22-30)33-24-23-32(41-33)27-31(28-36)35(38)40-26-18-16-14-12-10-8-6-4-2/h19-24,27H,3-18,25-26H2,1-2H3/b31-27+InChIKey
URBORYAYMWSVLN-TVKQRKNISA-NSynonyms
(E)decyl4(5(2cyano3(decyloxy)3oxoprop1en1yl)furan2yl)benzoate
CCCCCCCCCCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)OCCCCCCCCCC
CCCCCCCCCCOC(=O)c1ccc(cc1)c1ccc(o1)C=C(C(=O)OCCCCCCCCCC)C#N
decyl4(5((1E)2cyano3(decyloxy)3oxoprop1en1yl)furan2yl)benzoate
DECYL4(5((E)2CYANO3DECOXY3OXOPROP1ENYL)FURAN2YL)BENZOATE
InChI=1SC35H49NO5c1357911131517253934(37)30211929(202230)33242332(4133)2731(2836)35(38)402618161412108642h192427H3182526H212H3b3127+
MFCD01085866
ZINC000097970551
ZINC97970551
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