Vitas-M small molecule compound

ethyl 4-hydroxy-5-[1-(7-methoxy-1,3-benzodioxol-5-yl)-3-{[2-(4-methoxyphenyl)ethyl]amino}-3-oxopropyl]-6-oxo-1,6-dihydropyridine-3-carboxylate

Catalog ID
STL435208
SMILES CCOC(=O)c1c[nH]c(=O)c(c1O)C(c1cc(OC)c2c(c1)OCO2)CC(=O)NCCc1ccc(cc1)OC

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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 C28H30N2O9 MW 538.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O9/c1-4-37-28(34)20-14-30-27(33)24(25(20)32)19(17-11-21(36-3)26-22(12-17)38-15-39-26)13-23(31)29-10-9-16-5-7-18(35-2)8-6-16/h5-8,11-12,14,19H,4,9-10,13,15H2,1-3H3,(H,29,31)(H2,30,32,33)
InChIKey
PDHVRCAEYMQGSR-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CNC(=O)C(=C1O)C(CC(=O)NCCC2=CC=C(C=C2)OC)C3=CC4=C(C(=C3)OC)OCO4
CCOC(=O)c1c(nH)c(=O)c(c1O)C(c1cc(OC)c2c(c1)OCO2)CC(=O)NCCc1ccc(cc1)OC
ethyl4hydroxy5(1(7methoxy13benzodioxol5yl)3((2(4methoxyphenyl)ethyl)amino)3oxopropyl)6oxo16dihydropyridine3carboxylate
ethyl4hydroxy5(1(7methoxy13benzodioxol5yl)3(2(4methoxyphenyl)ethylamino)3oxopropyl)6oxo1Hpyridine3carboxylate
InChI=1SC28H30N2O9c143728(34)20143027(33)24(25(20)32)19(171121(363)2622(1217)38153926)1323(31)29109165718(352)8616h5811121419H49101315H213H3(H2931)(H2303233)
MFCD30711744
ZINC000253496564
ZINC000253496565

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Available files

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