Vitas-M small molecule compound
pentyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK371338
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)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 C25H31NO5 MW 425.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO5/c1-5-6-7-10-29-24(28)21-15(2)26-17-12-25(3,4)13-18(27)23(17)22(21)16-8-9-19-20(11-16)31-14-30-19/h8-9,11,22,26H,5-7,10,12-14H2,1-4H3InChIKey
NAFBNDATGXJXQT-UHFFFAOYSA-NSynonyms
296266-73-4296266734
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)(C)C)C
InChI=1SC25H31NO5c1567102924(28)2115(2)26171225(34)1318(27)23(17)22(21)16891920(1116)31143019h89112226H57101214H214H3
MFCD00326190
pentyl4(13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000002066351
ZINC000002066352
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Check stock on Vitas-MAvailable files
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