Vitas-M small molecule compound

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

Catalog ID
STK029832
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1OC)OC)OC)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 C24H31NO6 MW 429.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO6/c1-8-31-23(27)18-13(2)25-15-11-24(3,4)12-16(26)20(15)19(18)14-9-10-17(28-5)22(30-7)21(14)29-6/h9-10,19,25H,8,11-12H2,1-7H3
InChIKey
CHKSZORJECBQSE-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1OC)OC)OC)C(=O)CC(C2)(C)C
CCOC(=O)C1=C(NC2=C(C1C3=C(C(=C(C=C3)OC)OC)OC)C(=O)CC(C2)(C)C)C
ethyl277trimethyl5oxo4(234trimethoxyphenyl)145678hexahydroquinoline3carboxylate
ethyl277trimethyl5oxo4(234trimethoxyphenyl)1468tetrahydroquinoline3carboxylate
InChI=1SC24H31NO6c183123(27)1813(2)25151124(34)1216(26)20(15)19(18)1491017(285)22(307)21(14)296h9101925H81112H217H3
MFCD00753186
STK029832
ZINC000019536109
ZINC000019536112

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.