Vitas-M small molecule compound

2-methylpropyl 2-methyl-5-oxo-7-phenyl-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK041872
SMILES CCCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCC(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 C30H35NO4 MW 473.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO4/c1-5-15-34-26-14-10-9-13-23(26)28-27(30(33)35-18-19(2)3)20(4)31-24-16-22(17-25(32)29(24)28)21-11-7-6-8-12-21/h6-14,19,22,28,31H,5,15-18H2,1-4H3
InChIKey
XEPNWFBYCUCXIV-UHFFFAOYSA-N
Synonyms

2methylpropyl2methyl5oxo7phenyl4(2propoxyphenyl)145678hexahydroquinoline3carboxylate
2methylpropyl2methyl5oxo7phenyl4(2propoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
CCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OCC(C)C)C
CCCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCC(C)C
InChI=1SC30H35NO4c15153426141091323(26)2827(30(33)351819(2)3)20(4)31241622(1725(32)29(24)28)21117681221h61419222831H51518H214H3
MFCD01445657
STK041872
ZINC000008780552
ZINC000008780555

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Available files

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