Vitas-M small molecule compound
propyl 4-(6-chloro-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK018580
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)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 C28H28ClNO6 MW 509.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClNO6/c1-4-9-34-28(32)25-15(2)30-21-10-17(16-5-7-18(33-3)8-6-16)11-22(31)27(21)26(25)19-12-23-24(13-20(19)29)36-14-35-23/h5-8,12-13,17,26,30H,4,9-11,14H2,1-3H3InChIKey
LWQKHZXICMJDJJ-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CC(C2)c1ccc(cc1)OC
CCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Cl)OCO4)C(=O)CC(C2)C5=CC=C(C=C5)OC)C
InChI=1SC28H28ClNO6c1493428(32)2515(2)30211017(165718(333)8616)1122(31)27(21)26(25)19122324(1320(19)29)36143523h581213172630H491114H213H3
MFCD01655333
propyl4(6chloro13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(6chloro13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK018580
ZINC000002185668
ZINC000002185671
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