Vitas-M small molecule compound

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

Catalog ID
STK034663
SMILES CCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccc(cc1)OC

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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/c1-6-34-24-10-8-7-9-21(24)26-25(28(32)35-17-19-11-13-20(33-5)14-12-19)18(2)30-22-15-29(3,4)16-23(31)27(22)26/h7-14,26,30H,6,15-17H2,1-5H3
InChIKey
BMHIZECIIQYECQ-UHFFFAOYSA-N
Synonyms
347351-32-0
(4methoxyphenyl)methyl4(2ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
347351320
4methoxybenzyl4(2ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
CCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=C(C=C4)OC)C
CCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccc(cc1)OC
InChI=1SC29H33NO5c1634241087921(24)2625(28(32)351719111320(335)141219)18(2)30221529(34)1623(31)27(22)26h7142630H61517H215H3
MFCD02104416
STK034663
ZINC000009113579
ZINC000009113581

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Available files

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