Vitas-M small molecule compound
cyclohexyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK024474
SMILES CCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCC1
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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 C27H35NO4 MW 437.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35NO4/c1-5-31-22-14-10-9-13-19(22)24-23(26(30)32-18-11-7-6-8-12-18)17(2)28-20-15-27(3,4)16-21(29)25(20)24/h9-10,13-14,18,24,28H,5-8,11-12,15-16H2,1-4H3InChIKey
PNOZYXWTWMGNKG-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC4CCCCC4)C
CCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCC1
cyclohexyl4(2ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(2ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC27H35NO4c153122141091319(22)2423(26(30)3218117681218)17(2)28201527(34)1621(29)25(20)24h9101314182428H5811121516H214H3
MFCD00753405
STK024474
ZINC000004061504
ZINC000004061510
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