Vitas-M small molecule compound
propyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK069212
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cc(Cl)c(c(c1)OCC)O)C(=O)CC(C2)c1ccccc1
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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 C28H30ClNO5 MW 496.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClNO5/c1-4-11-35-28(33)24-16(3)30-21-13-18(17-9-7-6-8-10-17)14-22(31)26(21)25(24)19-12-20(29)27(32)23(15-19)34-5-2/h6-10,12,15,18,25,30,32H,4-5,11,13-14H2,1-3H3InChIKey
UVKAKEHHGFTVQA-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1cc(Cl)c(c(c1)OCC)O)C(=O)CC(C2)c1ccccc1
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Cl)O)OCC)C(=O)CC(C2)C4=CC=CC=C4)C
InChI=1SC28H30ClNO5c14113528(33)2416(3)30211318(1797681017)1422(31)26(21)25(24)191220(29)27(32)23(1519)3452h610121518253032H45111314H213H3
MFCD02632884
propyl4(3chloro5ethoxy4hydroxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
propyl4(3chloro5ethoxy4hydroxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
STK069212
ZINC000002771857
ZINC000002771860
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