Vitas-M small molecule compound
ethyl (1E)-1-(1-ethoxy-1,3-dioxobutan-2-ylidene)-3,5,7-trioxo-3,5,6,7-tetrahydro-1H-indeno[5,6-c]furan-6-carboxylate - N,N-diethylethanamine (1:1)
Catalog ID
STK052516
SMILES CCN(CC)CC.CCOC(=O)/C(=C\1/OC(=O)c2c1cc1c(c2)C(=O)C(C1=O)C(=O)OCC)/C(=O)C
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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 C26H31NO9 MW 501.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16O9.C6H15N/c1-4-27-19(25)13(8(3)21)17-11-6-9-10(7-12(11)18(24)29-17)16(23)14(15(9)22)20(26)28-5-2;1-4-7(5-2)6-3/h6-7,14H,4-5H2,1-3H3;4-6H2,1-3H3/b17-13+;InChIKey
GQRPVNBHYKWHLP-IWSIBTJSSA-NSynonyms
(Z)ethyl1(1ethoxy13dioxobutan2ylidene)357trioxo3567tetrahydro1Hindeno(56c)furan6carboxylatecompoundwithtriethylamine(11)
CCN(CC)CCCCOC(=O)C(=C1OC(=O)c2c1cc1c(c2)C(=O)C(C1=O)C(=O)OCC)C(=O)C
CCN(CC)CCCCOC(=O)C1C(=O)C2=C(C1=O)C=C3C(=C2)C(=C(C(=O)C)C(=O)OCC)OC3=O
ethyl(1E)1(1ethoxy13dioxobutan2ylidene)357trioxo3567tetrahydro1Hindeno(56c)furan6carboxylateNNdiethylethanamine(11)
InChI=1SC20H16O9C6H15Nc142719(25)13(8(3)21)17116910(712(11)18(24)2917)16(23)14(15(9)22)20(26)2852147(52)63h6714H45H213H346H213H3b1713+
MFCD09960030
NNdiethylethanamineethyl(3E)3(1ethoxy13dioxobutan2ylidene)157trioxocyclopenta(f)(2)benzofuran6carboxylate
STK052516
ZINC000096699266
ZINC000100903977
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.