Vitas-M small molecule compound

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

Catalog ID
STK097680
SMILES COc1cccc(c1OC)C1C(=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 C28H31NO5 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5/c1-17-23(27(31)34-16-18-10-7-6-8-11-18)24(19-12-9-13-22(32-4)26(19)33-5)25-20(29-17)14-28(2,3)15-21(25)30/h6-13,24,29H,14-16H2,1-5H3
InChIKey
HMOZUZWZQXGWHJ-UHFFFAOYSA-N
Synonyms
299948-59-7
299948597
benzyl4(23dimethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(23dimethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=C(C(=CC=C3)OC)OC)C(=O)OCC4=CC=CC=C4
COc1cccc(c1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1
InChI=1SC28H31NO5c11723(27(31)341618107681118)24(191291322(324)26(19)335)2520(2917)1428(23)1521(25)30h6132429H1416H215H3
MFCD00753327
STK097680
ZINC000000626733
ZINC000000626738

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Available files

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