Vitas-M small molecule compound
benzyl 4-(3-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK038510
SMILES CCOc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1
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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 C28H31NO4 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4/c1-5-32-21-13-9-12-20(14-21)25-24(27(31)33-17-19-10-7-6-8-11-19)18(2)29-22-15-28(3,4)16-23(30)26(22)25/h6-14,25,29H,5,15-17H2,1-4H3InChIKey
FDTIDYNSCPMNCV-UHFFFAOYSA-NSynonyms
benzyl4(3ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(3ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCOC1=CC=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=CC=C4)C
CCOc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1
InChI=1SC28H31NO4c1532211391220(1421)2524(27(31)331719107681119)18(2)29221528(34)1623(30)26(22)25h6142529H51517H214H3
MFCD02188595
STK038510
ZINC000008439500
ZINC000008439503
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