Vitas-M small molecule compound

cycloheptyl 2,7,7-trimethyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK403027
SMILES O=C(C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CC(C2)(C)C)OC1CCCCCC1

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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 C29H33NO5 MW 475.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO5/c1-17-24(28(33)35-18-10-6-4-5-7-11-18)25(26-21(30-17)14-29(2,3)15-22(26)31)20-16-34-23-13-9-8-12-19(23)27(20)32/h8-9,12-13,16,18,25,30H,4-7,10-11,14-15H2,1-3H3
InChIKey
YZZKBLYWFLVETE-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=COC4=CC=CC=C4C3=O)C(=O)OC5CCCCCC5
cycloheptyl277trimethyl5oxo4(4oxo4Hchromen3yl)145678hexahydroquinoline3carboxylate
cycloheptyl277trimethyl5oxo4(4oxochromen3yl)1468tetrahydroquinoline3carboxylate
InChI=1SC29H33NO5c11724(28(33)35181064571118)25(2621(3017)1429(23)1522(26)31)2016342313981219(23)27(20)32h89121316182530H4710111415H213H3
MFCD03145117
ZINC000002771993
ZINC000002771994

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Available files

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