Vitas-M small molecule compound
benzyl 2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK370763
SMILES CCCOc1ccccc1C1C(=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 C29H33NO4 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO4/c1-5-15-33-24-14-10-9-13-21(24)26-25(28(32)34-18-20-11-7-6-8-12-20)19(2)30-22-16-29(3,4)17-23(31)27(22)26/h6-14,26,30H,5,15-18H2,1-4H3InChIKey
BWRPEMGQBCRJFN-UHFFFAOYSA-NSynonyms
295343-76-9295343769
benzyl277trimethyl5oxo4(2propoxyphenyl)145678hexahydroquinoline3carboxylate
benzyl277trimethyl5oxo4(2propoxyphenyl)1468tetrahydroquinoline3carboxylate
CCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=CC=C4)C
InChI=1SC29H33NO4c15153324141091321(24)2625(28(32)341820117681220)19(2)30221629(34)1723(31)27(22)26h6142630H51518H214H3
MFCD00315339
ZINC000004059656
ZINC000004059659
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