Vitas-M small molecule compound

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

Catalog ID
STK363647
SMILES CCOCCOC(=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 C26H35NO7 MW 473.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO7/c1-8-33-11-12-34-25(29)20-15(2)27-17-13-26(3,4)14-18(28)22(17)21(20)16-9-10-19(30-5)24(32-7)23(16)31-6/h9-10,21,27H,8,11-14H2,1-7H3
InChIKey
MRZDWIUFWIVVFA-UHFFFAOYSA-N
Synonyms

2ethoxyethyl277trimethyl5oxo4(234trimethoxyphenyl)145678hexahydroquinoline3carboxylate
2ethoxyethyl277trimethyl5oxo4(234trimethoxyphenyl)1468tetrahydroquinoline3carboxylate
CCOCCOC(=O)C1=C(NC2=C(C1C3=C(C(=C(C=C3)OC)OC)OC)C(=O)CC(C2)(C)C)C
InChI=1SC26H35NO7c183311123425(29)2015(2)27171326(34)1418(28)22(17)21(20)1691019(305)24(327)23(16)316h9102127H81114H217H3
MFCD00753049
ZINC000002055175
ZINC000002055176

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Available files

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