Vitas-M small molecule compound
ethyl 4-{[(1E)-1-[benzyl(methyl)amino]-3-(3-{[benzyl(methyl)amino]methyl}-2,4-dihydroxyphenyl)-3-oxoprop-1-en-2-yl]oxy}benzoate
Catalog ID
STK924379
SMILES CCOC(=O)c1ccc(cc1)O/C(=C/N(Cc1ccccc1)C)/C(=O)c1ccc(c(c1O)CN(Cc1ccccc1)C)O
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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 C35H36N2O6 MW 580.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36N2O6/c1-4-42-35(41)27-15-17-28(18-16-27)43-32(24-37(3)22-26-13-9-6-10-14-26)34(40)29-19-20-31(38)30(33(29)39)23-36(2)21-25-11-7-5-8-12-25/h5-20,24,38-39H,4,21-23H2,1-3H3/b32-24+InChIKey
XIHVCWFQYXZKHJ-FEZSWGLMSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)OC(=CN(C)CC2=CC=CC=C2)C(=O)C3=C(C(=C(C=C3)O)CN(C)CC4=CC=CC=C4)O
CCOC(=O)c1ccc(cc1)OC(=CN(Cc1ccccc1)C)C(=O)c1ccc(c(c1O)CN(Cc1ccccc1)C)O
ethyl4(((1E)1(benzyl(methyl)amino)3(3((benzyl(methyl)amino)methyl)24dihydroxyphenyl)3oxoprop1en2yl)oxy)benzoate
ethyl4((E)1(benzyl(methyl)amino)3(3((benzyl(methyl)amino)methyl)24dihydroxyphenyl)3oxoprop1en2yl)oxybenzoate
ETHYL4(2(24DIHYDROXY3((METHYLBENZYLAMINO)METHYL)PHENYL)1((METHYLBENZYLAMINO)METHYLENE)2OXOETHOXY)BENZOATE
InChI=1SC35H36N2O6c144235(41)27151728(181627)4332(2437(3)22261396101426)34(40)29192031(38)30(33(29)39)2336(2)2125117581225h520243839H42123H213H3b3224+
MFCD06644402
ZINC000071382578
ZINC71382578
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.