Vitas-M small molecule compound

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

Catalog ID
STK402961
SMILES COc1c(OC)cc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)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 C29H39NO6 MW 497.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39NO6/c1-17-24(28(32)36-19-11-9-7-8-10-12-19)25(26-20(30-17)15-29(2,3)16-21(26)31)18-13-22(33-4)27(35-6)23(14-18)34-5/h13-14,19,25,30H,7-12,15-16H2,1-6H3
InChIKey
PACMANQVKRNYJL-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC4CCCCCC4
cycloheptyl277trimethyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
cycloheptyl277trimethyl5oxo4(345trimethoxyphenyl)1468tetrahydroquinoline3carboxylate
InChI=1SC29H39NO6c11724(28(32)361911978101219)25(2620(3017)1529(23)1621(26)31)181322(334)27(356)23(1418)345h1314192530H7121516H216H3
MFCD03370987
ZINC000001431233
ZINC000001431234

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Available files

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