Vitas-M small molecule compound
pentyl 4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372519
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCCCC)C(=O)CC(C2)(C)C
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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 C28H39NO4 MW 453.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H39NO4/c1-6-8-12-16-33-27(31)24-19(3)29-21-17-28(4,5)18-22(30)26(21)25(24)20-13-10-11-14-23(20)32-15-9-7-2/h10-11,13-14,25,29H,6-9,12,15-18H2,1-5H3InChIKey
OZHSOJBWEHAWSZ-UHFFFAOYSA-NSynonyms
299946-11-5299946115
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OCCCC)C(=O)CC(C2)(C)C)C
InChI=1SC28H39NO4c16812163327(31)2419(3)29211728(45)1822(30)26(21)25(24)201310111423(20)3215972h101113142529H69121518H215H3
MFCD00752976
pentyl4(2butoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(2butoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000002055127
ZINC000002055128
Check stock
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Check stock on Vitas-MAvailable files
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