Vitas-M small molecule compound
propyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402525
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cc(Cl)c(c(c1)OCC)O)C(=O)CC(C2)c1ccc(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 C29H32ClNO6 MW 526.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32ClNO6/c1-5-11-37-29(34)25-16(3)31-22-13-18(17-7-9-20(35-4)10-8-17)14-23(32)27(22)26(25)19-12-21(30)28(33)24(15-19)36-6-2/h7-10,12,15,18,26,31,33H,5-6,11,13-14H2,1-4H3InChIKey
MFDPSUATWPIBIO-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Cl)O)OCC)C(=O)CC(C2)C4=CC=C(C=C4)OC)C
InChI=1SC29H32ClNO6c15113729(34)2516(3)31221318(177920(354)10817)1423(32)27(22)26(25)191221(30)28(33)24(1519)3662h710121518263133H56111314H214H3
MFCD01824447
propyl4(3chloro5ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(3chloro5ethoxy4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002784278
ZINC000002784281
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