Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK377092
SMILES CCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCC1CCCO1
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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 C26H33NO5 MW 439.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO5/c1-5-30-21-11-7-6-10-18(21)23-22(25(29)32-15-17-9-8-12-31-17)16(2)27-19-13-26(3,4)14-20(28)24(19)23/h6-7,10-11,17,23,27H,5,8-9,12-15H2,1-4H3InChIKey
LSYYKARBUHEXHS-UHFFFAOYSA-NSynonyms
330848-53-8330848538
CCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4CCCO4)C
InChI=1SC26H33NO5c15302111761018(21)2322(25(29)32151798123117)16(2)27191326(34)1420(28)24(19)23h671011172327H5891215H214H3
MFCD01445732
oxolan2ylmethyl4(2ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
tetrahydrofuran2ylmethyl4(2ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ZINC000004067861
ZINC000004067864
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