Vitas-M small molecule compound

propyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK037999
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)c1ccc(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 C30H35NO7 MW 521.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO7/c1-7-12-38-30(33)26-17(2)31-22-13-19(18-8-10-21(34-3)11-9-18)14-23(32)28(22)27(26)20-15-24(35-4)29(37-6)25(16-20)36-5/h8-11,15-16,19,27,31H,7,12-14H2,1-6H3
InChIKey
AWHUUILQNOLHPC-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)c1ccc(cc1)OC
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)OC)OC)C(=O)CC(C2)C4=CC=C(C=C4)OC)C
InChI=1SC30H35NO7c17123830(33)2617(2)31221319(1881021(343)11918)1423(32)28(22)27(26)201524(354)29(376)25(1620)365h8111516192731H71214H216H3
MFCD01824297
propyl7(4methoxyphenyl)2methyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
propyl7(4methoxyphenyl)2methyl5oxo4(345trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
STK037999
ZINC000002779804
ZINC000002779807

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Available files

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