Vitas-M small molecule compound
butyl 2,7,7-trimethyl-4-(naphthalen-1-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK046525
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1cccc3c1cccc3)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 C27H31NO3 MW 417.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO3/c1-5-6-14-31-26(30)23-17(2)28-21-15-27(3,4)16-22(29)25(21)24(23)20-13-9-11-18-10-7-8-12-19(18)20/h7-13,24,28H,5-6,14-16H2,1-4H3InChIKey
WGNRMBSESVBXPK-UHFFFAOYSA-NSynonyms
butyl277trimethyl4(naphthalen1yl)5oxo145678hexahydroquinoline3carboxylate
butyl277trimethyl4naphthalen1yl5oxo1468tetrahydroquinoline3carboxylate
CCCCOC(=O)C1=C(C)NC2=C(C1c1cccc3c1cccc3)C(=O)CC(C2)(C)C
CCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC4=CC=CC=C43)C(=O)CC(C2)(C)C)C
InChI=1SC27H31NO3c156143126(30)2317(2)28211527(34)1622(29)25(21)24(23)20139111810781219(18)20h7132428H561416H214H3
MFCD00770939
STK046525
ZINC000002080221
ZINC000002080222
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