Vitas-M small molecule compound

3-cyclohexyl 6-methyl 2,7-dimethyl-5-oxo-4-(4-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK404428
SMILES CCCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)C(C(C2)C)C(=O)OC)C(=O)OC1CCCCC1

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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 C29H37NO6 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37NO6/c1-5-15-35-20-13-11-19(12-14-20)25-24(29(33)36-21-9-7-6-8-10-21)18(3)30-22-16-17(2)23(28(32)34-4)27(31)26(22)25/h11-14,17,21,23,25,30H,5-10,15-16H2,1-4H3
InChIKey
QMDFOIWFTNPYNG-UHFFFAOYSA-N
Synonyms

3cyclohexyl6methyl27dimethyl5oxo4(4propoxyphenyl)145678hexahydroquinoline36dicarboxylate
3Ocyclohexyl6Omethyl27dimethyl5oxo4(4propoxyphenyl)4678tetrahydro1Hquinoline36dicarboxylate
CCCOC1=CC=C(C=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OC4CCCCC4)C
InChI=1SC29H37NO6c15153520131119(121420)2524(29(33)362197681021)18(3)30221617(2)23(28(32)344)27(31)26(22)25h11141721232530H5101516H214H3
MFCD04226204
ZINC000004761749
ZINC000102557942

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Available files

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